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Publication years (Num. hits)
1987-1996 (20) 1997-1999 (16) 2000-2001 (18) 2002-2004 (25) 2005-2006 (33) 2007-2008 (31) 2009 (19) 2010 (21) 2011 (25) 2012 (15) 2013-2014 (37) 2015-2016 (23) 2017 (18) 2018-2019 (32) 2020-2021 (26) 2022-2023 (30) 2024 (3)
Publication types (Num. hits)
article(364) incollection(1) inproceedings(26) phdthesis(1)
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Results
Found 392 publication records. Showing 392 according to the selection in the facets
Hits ? Authors Title Venue Year Link Author keywords
105Winston Yu-Chen Chen, Po-Yuan Chen, Calvin Yu-Chian Chen, Jing-Gung Chung Exploring 3D-QSAR pharmacophore mapping of azaphenanthrenone derivatives for mPGES-1 inhibition Using HypoGen technique. Search on Bibsonomy CIBCB The full citation details ... 2008 DBLP  DOI  BibTeX  RDF
91Satoshi Fujishima, Yoshimasa Takahashi, Takashi Okada Pharmacophore Knowledge Refinement Method in the Chemical Structure Space. Search on Bibsonomy Discovery Science The full citation details ... 2007 DBLP  DOI  BibTeX  RDF Chemical structure space, Structure activity relationship, Pharmacophore, Knowledge refinement
83Yuval Inbar, Dina Schneidman-Duhovny, Oranit Dror, Ruth Nussinov, Haim J. Wolfson Deterministic Pharmacophore Detection Via Multiple Flexible Alignment of Drug-Like Molecules. Search on Bibsonomy RECOMB The full citation details ... 2007 DBLP  DOI  BibTeX  RDF Computer-Aided Drug Design (CADD), Rational Drug Discovery, 3D Molecular Similarity, 3D Molecular Superposition
69Ashwin Srinivasan 0001, David Page, Rui Camacho, Ross D. King Quantitative pharmacophore models with inductive logic programming. Search on Bibsonomy Mach. Learn. The full citation details ... 2006 DBLP  DOI  BibTeX  RDF Pharmacophore models, ILP, Statistical relational learning
61Jinn-Moon Yang, Tsai-Wei Shen, Yen-Fu Chen, Yi-Yuan Chiu An Evolutionary Approach with Pharmacophore-Based Scoring Functions for Virtual Database Screening. Search on Bibsonomy GECCO (1) The full citation details ... 2004 DBLP  DOI  BibTeX  RDF
51Gordon M. Crippen Intervals and the deduction of drug binding site models. Search on Bibsonomy HICSS (5) The full citation details ... 1995 DBLP  DOI  BibTeX  RDF chemical structure, drug binding site models, binding affinities, common receptor macromolecule, receptor, energetic features, common binding site, chemical structures, pharmacophore, bioactive conformations, conformational flexibility, stereospecific binding, qualitative binding data, chemically similar ligands, biology computing, intervals, chemistry, deduction, geometric features, chemistry computing, computer algorithm, drugs
36Lubabah A. Mousa, Mámon M. Hatmal, Mutasem O. Taha Exploiting activity cliffs for building pharmacophore models and comparison with other pharmacophore generation methods: sphingosine kinase 1 as case study. Search on Bibsonomy J. Comput. Aided Mol. Des. The full citation details ... 2022 DBLP  DOI  BibTeX  RDF
36Rand Shahin, Lubna Swellmeen, Omar Shaheen, Nour Aboalhaija, Maha Habash Identification of novel inhibitors for Pim-1 kinase using pharmacophore modeling based on a novel method for selecting pharmacophore generation subsets. Search on Bibsonomy J. Comput. Aided Mol. Des. The full citation details ... 2016 DBLP  DOI  BibTeX  RDF
36Sayan Ranu, Ambuj K. Singh Novel Method for Pharmacophore Analysis by Examining the Joint Pharmacophore Space. Search on Bibsonomy J. Chem. Inf. Model. The full citation details ... 2011 DBLP  DOI  BibTeX  RDF
36Fanny Bonachéra, Dragos Horvath Fuzzy Tricentric Pharmacophore Fingerprints. 2. Application of Topological Fuzzy Pharmacophore Triplets in Quantitative Structure-Activity Relationships. Search on Bibsonomy J. Chem. Inf. Model. The full citation details ... 2008 DBLP  DOI  BibTeX  RDF
36Fanny Bonachéra, Benjamin Parent, Frédérique Barbosa, Nicolas Froloff, Dragos Horvath Fuzzy Tricentric Pharmacophore Fingerprints, 1. Topological Fuzzy Pharmacophore Triplets and Adapted Molecular Similarity Scoring Schemes. Search on Bibsonomy J. Chem. Inf. Model. The full citation details ... 2006 DBLP  DOI  BibTeX  RDF
36Joan R. Cucarull-González, Christian Laggner, Thierry Langer Influence of the Conditions in Pharmacophore Generation, Scoring, and 3D Database Search for Chemical Feature-Based Pharmacophore Models: One Application Study of ETA- and ETB-Selective Antagonists. Search on Bibsonomy J. Chem. Inf. Model. The full citation details ... 2006 DBLP  DOI  BibTeX  RDF
36Isaac B. Bersuker, Süleyman Bahçeci, James E. Boggs, Robert S. Pearlman An electron-conformational method of identification of pharmacophore and anti-pharmacophore shielding: Application to rice blast activity. Search on Bibsonomy J. Comput. Aided Mol. Des. The full citation details ... 1999 DBLP  DOI  BibTeX  RDF
29Paul W. Finn, Lydia E. Kavraki Computational Approaches to Drug Design. Search on Bibsonomy Algorithmica The full citation details ... 1999 DBLP  DOI  BibTeX  RDF Computer-assisted pharmaceutical drug design, Conformational search, Pharmacophore identification, Molecular surfaces
22Jufang Shan, Jie J. Zheng Optimizing Dvl PDZ domain inhibitor by exploring chemical space. Search on Bibsonomy J. Comput. Aided Mol. Des. The full citation details ... 2009 DBLP  DOI  BibTeX  RDF Chemical space, PDZ domain inhibitors, Wnt signaling pathway, SAR, Virtual screening, NMR
22Roberto Andreani, José Mario Martínez, Leandro Martínez, Flávio S. Yano Continuous optimization methods for structure alignments. Search on Bibsonomy Math. Program. The full citation details ... 2008 DBLP  DOI  BibTeX  RDF Protein alignment, Order-value optimization, Continuous optimization, Gauss-Newton method, Structural alignment
22Yanliang Ren, Qingye Zhang, Jian Wan 0004, Xiangcheng Huang, Peng Xie, Guangfu Yang Implementation of CCNUGrid-Based Drug Virtual Screening Applications Using Workflow Techniques. Search on Bibsonomy GCC Workshops The full citation details ... 2006 DBLP  DOI  BibTeX  RDF
22David P. Enot, Ross D. King Application of Inductive Logic Programming to Structure-Based Drug Design. Search on Bibsonomy PKDD The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
22Jean-Daniel Boissonnat, Frédéric Cazals, Julia Flötotto 2D-Structure Drawings of Similar Molecules. Search on Bibsonomy GD The full citation details ... 2000 DBLP  DOI  BibTeX  RDF
22Stephen H. Muggleton Knowledge Discovery in Biological and Chemical Domains. Search on Bibsonomy Discovery Science The full citation details ... 1998 DBLP  DOI  BibTeX  RDF
18Omeir Khan, George Jones, Maria Lazou, Diane Joseph-McCarthy, Dima Kozakov, Dmitri Beglov, Sandor Vajda Expanding FTMap for Fragment-Based Identification of Pharmacophore Regions in Ligand Binding Sites. Search on Bibsonomy J. Chem. Inf. Model. The full citation details ... 2024 DBLP  DOI  BibTeX  RDF
18Angel Jonathan Ruiz-Moreno, Raziel Cedillo-González, Luis Cordova-Bahena, Zhiqiang An, José L. Medina-Franco, Marco Velasco-Velázquez Consensus Pharmacophore Strategy For Identifying Novel SARS-Cov-2 Mpro Inhibitors from Large Chemical Libraries. Search on Bibsonomy J. Chem. Inf. Model. The full citation details ... 2024 DBLP  DOI  BibTeX  RDF
18Seloua Hadiby, Yamina Mohamed Ben Ali Integrating pharmacophore model and deep learning for activity prediction of molecules with BRCA1 gene. Search on Bibsonomy J. Bioinform. Comput. Biol. The full citation details ... 2024 DBLP  DOI  BibTeX  RDF
18Chunyan Tang, Cheng Zhong, Mian Wang, Fengfeng Zhou FMGNN: A Method to Predict Compound-Protein Interaction With Pharmacophore Features and Physicochemical Properties of Amino Acids. Search on Bibsonomy IEEE ACM Trans. Comput. Biol. Bioinform. The full citation details ... 2023 DBLP  DOI  BibTeX  RDF
18Nour Jamal Jaradat, Mámon M. Hatmal, Dana Alqudah, Mutasem Omar Taha Computational workflow for discovering small molecular binders for shallow binding sites by integrating molecular dynamics simulation, pharmacophore modeling, and machine learning: STAT3 as case study. Search on Bibsonomy J. Comput. Aided Mol. Des. The full citation details ... 2023 DBLP  DOI  BibTeX  RDF
18Nour Jamal Jaradat, Mámon M. Hatmal, Dana Alqudah, Mutasem Omar Taha Correction to: Computational workflow for discovering small molecular binders for shallow binding sites by integrating molecular dynamics simulation, pharmacophore modeling, and machine learning: STAT3 as case study. Search on Bibsonomy J. Comput. Aided Mol. Des. The full citation details ... 2023 DBLP  DOI  BibTeX  RDF
18Jörg Heider, Jonas Kilian, Aleksandra Garifulina, Steffen Hering, Thierry Langer, Thomas Seidel Apo2ph4: A Versatile Workflow for the Generation of Receptor-based Pharmacophore Models for Virtual Screening. Search on Bibsonomy J. Chem. Inf. Model. The full citation details ... 2023 DBLP  DOI  BibTeX  RDF
18Francois Berenger, Koji Tsuda 3D-Sensitive Encoding of Pharmacophore Features. Search on Bibsonomy J. Chem. Inf. Model. The full citation details ... 2023 DBLP  DOI  BibTeX  RDF
18Javier Vázquez, Tiziana Ginex, Albert Herrero, Christophe Morisseau, Bruce D. Hammock, F. Javier Luque Screening and Biological Evaluation of Soluble Epoxide Hydrolase Inhibitors: Assessing the Role of Hydrophobicity in the Pharmacophore-Guided Search of Novel Hits. Search on Bibsonomy J. Chem. Inf. Model. The full citation details ... 2023 DBLP  DOI  BibTeX  RDF
18Seonghwan Seo, Woo Youn Kim PharmacoNet: Accelerating Large-Scale Virtual Screening by Deep Pharmacophore Modeling. Search on Bibsonomy CoRR The full citation details ... 2023 DBLP  DOI  BibTeX  RDF
18Jingyu Zhu, Dan Sun, Xintong Li, Lei Jia, Yanfei Cai, Yun Chen, Jian Jin, Li Yu Developing new PI3Kγ inhibitors by combining pharmacophore modeling, molecular dynamic simulation, molecular docking, fragment-based drug design, and virtual screening. Search on Bibsonomy Comput. Biol. Chem. The full citation details ... 2023 DBLP  DOI  BibTeX  RDF
18Clayton Fernando Rencilin, Joseph Christina Rosy, Krishnan Sundar Generation of 2D-QSAR and pharmacophore models for fishing better anti-leishmanial therapeutics. Search on Bibsonomy Int. J. Comput. Biol. Drug Des. The full citation details ... 2023 DBLP  DOI  BibTeX  RDF
18Amar Ghosh, Shreya Mukherjee, Prakash C. Jha, Anu Manhas Identifying natural product inhibitors against CDK9 enzyme via combined multicomplex-based pharmacophore modeling, interaction studies and molecular dynamics simulations. Search on Bibsonomy Comput. Biol. Medicine The full citation details ... 2023 DBLP  DOI  BibTeX  RDF
18Piyush Kumar Yadav, Suchitra Singh, Ajay Kumar Singh '3D-QSAR-based, pharmacophore modelling, virtual screening, and molecular docking studies for identification of hypoxia-inducible factor-1 inhibitor with potential bioactivity. Search on Bibsonomy Comput. Biol. Medicine The full citation details ... 2023 DBLP  DOI  BibTeX  RDF
18Goverdhan Lanka, Darakhshan Begum, Suvankar Banerjee, Nilanjan Adhikari, Yogeeswari P, Balaram Ghosh Pharmacophore-based virtual screening, 3D QSAR, Docking, ADMET, and MD simulation studies: An in silico perspective for the identification of new potential HDAC3 inhibitors. Search on Bibsonomy Comput. Biol. Medicine The full citation details ... 2023 DBLP  DOI  BibTeX  RDF
18Anish Nag, Adhiraj Dasgupta, Sutirtha Sengupta, Tapan Kumar Lai, Krishnendu Acharya An in-silico pharmacophore-based molecular docking study to evaluate the inhibitory potentials of novel fungal triterpenoid Astrakurkurone analogues against a hypothetical mutated main protease of SARS-CoV-2 virus. Search on Bibsonomy Comput. Biol. Medicine The full citation details ... 2023 DBLP  DOI  BibTeX  RDF
18Mayasah Al-Nema, Anand Gaurav, Vannajan Sanghiran Lee Designing of 2,3-dihydrobenzofuran derivatives as inhibitors of PDE1B using pharmacophore screening, ensemble docking and molecular dynamics approach. Search on Bibsonomy Comput. Biol. Medicine The full citation details ... 2023 DBLP  DOI  BibTeX  RDF
18Etienne Lehembre, Johanna Giovannini, Damien Geslin, Alban Lepailleur, Jean Luc Lamotte, David Auber, Abdelkader Ouali, Bruno Crémilleux, Albrecht Zimmermann, Bertrand Cuissart, Ronan Bureau Towards a partial order graph for interactive pharmacophore exploration: extraction of pharmacophores activity delta. Search on Bibsonomy J. Cheminformatics The full citation details ... 2023 DBLP  DOI  BibTeX  RDF
18Dajin Zhang, Tong Xin, Xiangyan Xu, Yudong Wang, Meiyun Shi, Yajun Liu, Ruixin Ma, Hongyu Xue Virtual Screening of Iridoids SGLT2 Inhibitors Based on Molecular Docking and Pharmacophore Model. Search on Bibsonomy BIBM The full citation details ... 2023 DBLP  DOI  BibTeX  RDF
18Sivakumar Prasanth Kumar, Nandan Y. Dixit, Chirag N. Patel, Rakesh M. Rawal, Himanshu A. Pandya PharmRF: A machine-learning scoring function to identify the best protein-ligand complexes for structure-based pharmacophore screening with high enrichments. Search on Bibsonomy J. Comput. Chem. The full citation details ... 2022 DBLP  DOI  BibTeX  RDF
18Seloua Hadiby, Yamina Mohamed Ben Ali Deep Learning Based-Virtual Screening Using 2D Pharmacophore Fingerprint in Drug Discovery. Search on Bibsonomy Neural Process. Lett. The full citation details ... 2022 DBLP  DOI  BibTeX  RDF
18Damien Geslin, Alban Lepailleur, Jean-Luc Manguin, Nhat-Vinh Vo, Jean Luc Lamotte, Bertrand Cuissart, Ronan Bureau Deciphering a Pharmacophore Network: A Case Study Using BCR-ABL Data. Search on Bibsonomy J. Chem. Inf. Model. The full citation details ... 2022 DBLP  DOI  BibTeX  RDF
18Farzin Hadizadeh, Razieh Ghodsi, Salimeh Mirzaei, Amirhossein Sahebkar In Silico Exploration of Novel Tubulin Inhibitors: A Combination of Docking and Molecular Dynamics Simulations, Pharmacophore Modeling, and Virtual Screening. Search on Bibsonomy Comput. Math. Methods Medicine The full citation details ... 2022 DBLP  DOI  BibTeX  RDF
18Shun Liu, Jianchao Zhou, Ziyan Feng, Jiawen Zhang, Shuang Li, Zilong Jin, Chenfei Zhang, Shiliang Li, Gaoqi He, Honglin Li VRPharmer: bringing virtual reality into pharmacophore-based virtual screening with interactive exploration and realistic visualization. Search on Bibsonomy Bioinform. The full citation details ... 2022 DBLP  DOI  BibTeX  RDF
18Huimin Zhu, Renyi Zhou, Jing Tang, Min Li PGMG: A Pharmacophore-Guided Deep Learning Approach for Bioactive Molecular Generation. Search on Bibsonomy CoRR The full citation details ... 2022 DBLP  DOI  BibTeX  RDF
18Neha Jain 0004, Md Fulbabu Sk, Amit Mishra, Parimal Kar, Amit Kumar 0016 Identification of novel efflux pump inhibitors for Neisseria gonorrhoeae via multiple ligand-based pharmacophores, e-pharmacophore, molecular docking, density functional theory, and molecular dynamics approaches. Search on Bibsonomy Comput. Biol. Chem. The full citation details ... 2022 DBLP  DOI  BibTeX  RDF
18Lei Jia, Lingling Wang, Yingmin Jiang, Lei Xu 0035, Yanfei Cai, Yun Chen, Jian Jin, Huiyong Sun, Jingyu Zhu Exploring PI3Kγ binding preference with Eganelisib, Duvelisib, and Idelalisib via energetic, pharmacophore and dissociation pathway analyses. Search on Bibsonomy Comput. Biol. Medicine The full citation details ... 2022 DBLP  DOI  BibTeX  RDF
18Asmaa Raafat, Samar Mowafy, Sahar M. Abouseri, Marwa A. Fouad, Nahla A. Farag Lead generation of cysteine based mesenchymal epithelial transition (c-Met) kinase inhibitors: Using structure-based scaffold hopping, 3D-QSAR pharmacophore modeling, virtual screening, molecular docking, and molecular dynamics simulation. Search on Bibsonomy Comput. Biol. Medicine The full citation details ... 2022 DBLP  DOI  BibTeX  RDF
18Hossam Nada, Kyeong Lee, Lizaveta Gotina, Ae Nim Pae, Ahmed Elkamhawy Identification of novel discoidin domain receptor 1 (DDR1) inhibitors using E-pharmacophore modeling, structure-based virtual screening, molecular dynamics simulation and MM-GBSA approaches. Search on Bibsonomy Comput. Biol. Medicine The full citation details ... 2022 DBLP  DOI  BibTeX  RDF
18Yue Kong, Xiaoman Zhao, Ruizi Liu, Zhenwu Yang, Hongyan Yin, Bowen Zhao, Jinling Wang, Bingjie Qin, Aixia Yan Integrating concept of pharmacophore with graph neural networks for chemical property prediction and interpretation. Search on Bibsonomy J. Cheminformatics The full citation details ... 2022 DBLP  DOI  BibTeX  RDF
18Seloua Hadiby, Yamina Mohamed Ben Ali FNN Based-Virtual Screening Using 2D Pharmacophore Fingerprint for Activity Prediction in Drug Discovery. Search on Bibsonomy Int. J. Comput. Intell. Appl. The full citation details ... 2022 DBLP  DOI  BibTeX  RDF
18Mengjiao Guo, Hui Zheng, Tengfei Ji, Hu Fa, Jing He 0004 A Triangle Framework among Subgraph Isomorphism, Pharmacophore and Structure-function Relationship. Search on Bibsonomy WWW (Companion Volume) The full citation details ... 2022 DBLP  DOI  BibTeX  RDF
18Yuxia Mao, Shiliang Li, Bojie Gong, Luhua Lai, Gaoqi He, Honglin Li ePharmer: An integrated and graphical software for pharmacophore-based virtual screening. Search on Bibsonomy J. Comput. Chem. The full citation details ... 2021 DBLP  DOI  BibTeX  RDF
18Minsup Kim, Kichul Park, Wonsang Kim, Sangwon Jung, Art E. Cho Target-Specific Drug Design Method Combining Deep Learning and Water Pharmacophore. Search on Bibsonomy J. Chem. Inf. Model. The full citation details ... 2021 DBLP  DOI  BibTeX  RDF
18Dawid Warszycki, Lukasz Struski, Marek Smieja, Rafal Kafel, Rafal Kurczab Pharmacoprint: A Combination of a Pharmacophore Fingerprint and Artificial Intelligence as a Tool for Computer-Aided Drug Design. Search on Bibsonomy J. Chem. Inf. Model. The full citation details ... 2021 DBLP  DOI  BibTeX  RDF
18Hiroshi Nakano, Tomoyuki Miyao, Swarit Jasial, Kimito Funatsu Sparse Topological Pharmacophore Graphs for Interpretable Scaffold Hopping. Search on Bibsonomy J. Chem. Inf. Model. The full citation details ... 2021 DBLP  DOI  BibTeX  RDF
18Enrico Glaab, Ganesh Babu Manoharan, Daniel Abankwa Pharmacophore Model for SARS-CoV-2 3CLpro Small-Molecule Inhibitors and in Vitro Experimental Validation of Computationally Screened Inhibitors. Search on Bibsonomy J. Chem. Inf. Model. The full citation details ... 2021 DBLP  DOI  BibTeX  RDF
18Benjamin P. Brown, Jeffrey L. Mendenhall, Alexander R. Geanes, Jens Meiler General Purpose Structure-Based Drug Discovery Neural Network Score Functions with Human-Interpretable Pharmacophore Maps. Search on Bibsonomy J. Chem. Inf. Model. The full citation details ... 2021 DBLP  DOI  BibTeX  RDF
18Samuel K. Kwofie, Nigel N. O. Dolling, Emmanuel Donkoh, Godwin M. Laryea, Lydia Mosi, Whelton A. Miller III, Michael B. Adinortey, Michael D. Wilson Pharmacophore-Guided Identification of Natural Products as Potential Inhibitors of Mycobacterium ulcerans Cystathionine γ-Synthase MetB. Search on Bibsonomy Comput. The full citation details ... 2021 DBLP  DOI  BibTeX  RDF
18Dawid Warszycki, Lukasz Struski, Marek Smieja, Rafal Kafel, Rafal Kurczab Pharmacoprint - a combination of pharmacophore fingerprint and artificial intelligence as a tool for computer-aided drug design. Search on Bibsonomy CoRR The full citation details ... 2021 DBLP  BibTeX  RDF
18Nung-Yu Hsu, Nikhil Pathak, Yun-Ti Chen, Yen-Chao Hsu, Jinn-Moon Yang Pharmacophore anchor models of ATAT1 to discover potential inhibitors and lead optimization. Search on Bibsonomy Comput. Biol. Chem. The full citation details ... 2021 DBLP  DOI  BibTeX  RDF
18Xuan Jiang, Shuxiang Li, Hongbin Zhang, Liang-Liang Wang Discovery of potentially biased agonists of mu-opioid receptor (MOR) through molecular docking, pharmacophore modeling, and MD simulation. Search on Bibsonomy Comput. Biol. Chem. The full citation details ... 2021 DBLP  DOI  BibTeX  RDF
18Umesh Panwar, Sanjeev Kumar Singh In silico virtual screening of potent inhibitor to hamper the interaction between HIV-1 integrase and LEDGF/p75 interaction using E-pharmacophore modeling, molecular docking, and dynamics simulations. Search on Bibsonomy Comput. Biol. Chem. The full citation details ... 2021 DBLP  DOI  BibTeX  RDF
18Jainey Puthenveettil James, Afiya Abdul Aziz, Dhanya Krishnan, Pankaj Kumar, Abhishek Kumar Molecular docking and pharmacophore modelling of phytoconstituents of vaccinium secundiflorum for antidiabetic and antioxidant activity. Search on Bibsonomy Int. J. Comput. Biol. Drug Des. The full citation details ... 2021 DBLP  DOI  BibTeX  RDF
18Mukuo Wang, Shujing Hou, Yu Wei, Dongmei Li, Jianping Lin Discovery of novel dual adenosine A1/A2A receptor antagonists using deep learning, pharmacophore modeling and molecular docking. Search on Bibsonomy PLoS Comput. Biol. The full citation details ... 2021 DBLP  DOI  BibTeX  RDF
18Stefan M. Kohlbacher, Thierry Langer, Thomas Seidel QPHAR: quantitative pharmacophore activity relationship: method and validation. Search on Bibsonomy J. Cheminformatics The full citation details ... 2021 DBLP  DOI  BibTeX  RDF
18Siduo Jiang, Miklos Feher, Christopher I. Williams, Brian Cole, David E. Shaw AutoPH4: An Automated Method for Generating Pharmacophore Models from Protein Binding Pockets. Search on Bibsonomy J. Chem. Inf. Model. The full citation details ... 2020 DBLP  DOI  BibTeX  RDF
18Hiroshi Nakano, Tomoyuki Miyao, Kimito Funatsu Exploring Topological Pharmacophore Graphs for Scaffold Hopping. Search on Bibsonomy J. Chem. Inf. Model. The full citation details ... 2020 DBLP  DOI  BibTeX  RDF
18Giulia Culletta, Maria Rita Gulotta, Ugo Perricone, Maria Zappalà, Anna Maria Almerico, Marco Tutone Exploring the SARS-CoV-2 Proteome in the Search of Potential Inhibitors via Structure-Based Pharmacophore Modeling/Docking Approach. Search on Bibsonomy Comput. The full citation details ... 2020 DBLP  DOI  BibTeX  RDF
18Baichun Hu, Johnson Joseph, Xiaohui Geng, Yiheng Wu, Muhammad R. Suleiman, Xinyue Liu, JiYue Shi, Xiujun Wang, Zhicheng He 0003, Jian Wang 0019, Mao-Sheng Cheng Refined pharmacophore features for virtual screening of human thromboxane A2 receptor antagonists. Search on Bibsonomy Comput. Biol. Chem. The full citation details ... 2020 DBLP  DOI  BibTeX  RDF
18Mohammed Afzal Azam, Janarthanan Thathan, Srikanth Jupudi Pharmacophore modeling, atom based 3D-QSAR, molecular docking and molecular dynamics studies on Escherichia coli ParE inhibitors. Search on Bibsonomy Comput. Biol. Chem. The full citation details ... 2020 DBLP  DOI  BibTeX  RDF
18Shailima Rampogu, Gihwan Lee, Ravinder Doneti, Keun Woo Lee Short communication for targeting natural compounds against HER2 kinase domain as potential anticancer drugs applying pharmacophore based molecular modelling approaches- part 2. Search on Bibsonomy Comput. Biol. Chem. The full citation details ... 2020 DBLP  DOI  BibTeX  RDF
18Shuxiang Li, Shuqun Zhang, Dingyuan Chen, Xuan Jiang, Bin Liu, Hongbin Zhang, Munikishore Rachakunta, Zhili Zuo Identification of Novel TRPC5 Inhibitors by Pharmacophore-Based and Structure-Based Approaches. Search on Bibsonomy Comput. Biol. Chem. The full citation details ... 2020 DBLP  DOI  BibTeX  RDF
18Rohini Kanagavelu, Shanthi Veerappapillai Identification of novel neuraminidase inhibitors through e-pharmacophore based virtual screening. Search on Bibsonomy Int. J. Comput. Biol. Drug Des. The full citation details ... 2020 DBLP  DOI  BibTeX  RDF
18Nikita Chordia, Deepak Bhayal, Priyesh Hardia In silico drug target identification and pharmacophore mapping for Leishmania donovani based on metabolic pathways. Search on Bibsonomy Int. J. Comput. Biol. Drug Des. The full citation details ... 2020 DBLP  DOI  BibTeX  RDF
18Kriti Kashyap, Rita Kakkar Pharmacophore-enabled virtual screening, molecular docking and molecular dynamics studies for identification of potent and selective histone deacetylase 8 inhibitors. Search on Bibsonomy Comput. Biol. Medicine The full citation details ... 2020 DBLP  DOI  BibTeX  RDF
18Manoj Kumar Yadav, Ravi Rao Bharti, Mayank Rashmi Exploration and identification of novel inhibitors against Knowpain-4 of P. knowlesi using a combinatorial 3D pharmacophore modeling approach. Search on Bibsonomy Netw. Model. Anal. Health Informatics Bioinform. The full citation details ... 2020 DBLP  DOI  BibTeX  RDF
18Xiaobo Mai, Chunyan Yang, Lulu Wang, Xiangmin Tan, Zhenqin Yuan, Jiazhong Li, Xin Wang Pharmacophore study using the HipHop for the screening novel potential BH3-mimetic compounds. Search on Bibsonomy HealthCom The full citation details ... 2020 DBLP  DOI  BibTeX  RDF
18Balakumar Chandrasekaran, Nikhil Agrawal, Sandeep Kaushik Pharmacophore Development. Search on Bibsonomy Encyclopedia of Bioinformatics and Computational Biology (2) The full citation details ... 2019 DBLP  DOI  BibTeX  RDF
18Galyna P. Volynets, Sergiy A. Starosyla, Mariia Yu. Rybak, Volodymyr G. Bdzhola, Oksana P. Kovalenko, Vasyl S. Vdovin, Sergiy M. Yarmoluk, Michail A. Tukalo Dual-targeted hit identification using pharmacophore screening. Search on Bibsonomy J. Comput. Aided Mol. Des. The full citation details ... 2019 DBLP  DOI  BibTeX  RDF
18Nizar A. Al-Shar'i, Qosay A. E. Al-Balas, Rand A. Al-Waqfi, Mohammad A. Hassan, Amer E. Alkhalifa, Nehad M. Ayoub Discovery of a nanomolar inhibitor of the human glyoxalase-I enzyme using structure-based poly-pharmacophore modelling and molecular docking. Search on Bibsonomy J. Comput. Aided Mol. Des. The full citation details ... 2019 DBLP  DOI  BibTeX  RDF
18Benjamin P. Brown, Jeffrey L. Mendenhall, Jens Meiler BCL: : MolAlign: Three-Dimensional Small Molecule Alignment for Pharmacophore Mapping. Search on Bibsonomy J. Chem. Inf. Model. The full citation details ... 2019 DBLP  DOI  BibTeX  RDF
18Viet-Khoa Tran-Nguyen, Franck Da Silva, Guillaume Bret, Didier Rognan All in One: Cavity Detection, Druggability Estimate, Cavity-Based Pharmacophore Perception, and Virtual Screening. Search on Bibsonomy J. Chem. Inf. Model. The full citation details ... 2019 DBLP  DOI  BibTeX  RDF
18Tobias Fehlmann, Michael C. Hutter Conservation and Relevance of Pharmacophore Point Types. Search on Bibsonomy J. Chem. Inf. Model. The full citation details ... 2019 DBLP  DOI  BibTeX  RDF
18Juan Pablo Arcon, Lucas A. Defelipe, Elias D. López, Osvaldo Burastero, Carlos P. Modenutti, Xavier Barril, Marcelo A. Marti, Adrian Gustavo Turjanski Cosolvent-Based Protein Pharmacophore for Ligand Enrichment in Virtual Screening. Search on Bibsonomy J. Chem. Inf. Model. The full citation details ... 2019 DBLP  DOI  BibTeX  RDF
18Ting Ran, Wenjuan Li, Bingling Peng, Binglan Xie, Tao Lu, Shuai Lu, Wen Liu Virtual Screening with a Structure-Based Pharmacophore Model to Identify Small-Molecule Inhibitors of CARM1. Search on Bibsonomy J. Chem. Inf. Model. The full citation details ... 2019 DBLP  DOI  BibTeX  RDF
18Xiao-Yan Feng, Wen-Qing Jia, Xin Liu, Zhi Jing 0002, Ya-Ya Liu, Wei-Ren Xu, Xian-Chao Cheng Identification of novel PPARα/γ dual agonists by pharmacophore screening, docking analysis, ADMET prediction and molecular dynamics simulations. Search on Bibsonomy Comput. Biol. Chem. The full citation details ... 2019 DBLP  DOI  BibTeX  RDF
18Ankur Chaudhuri, Nandagopal Hudait, Sibani Sen Chakraborty Pharmacophore modeling coupled with molecular dynamic simulation approach to identify new leads for meprin-β metalloprotease. Search on Bibsonomy Comput. Biol. Chem. The full citation details ... 2019 DBLP  DOI  BibTeX  RDF
18Surabhi Johari, Ashwani Sharma, Subrata Sinha, Aparoop Das Integrating pharmacophore mapping, virtual screening, density functional theory, molecular simulation towards the discovery of novel apolipoprotein (apoE ε4) inhibitors. Search on Bibsonomy Comput. Biol. Chem. The full citation details ... 2019 DBLP  DOI  BibTeX  RDF
18Nutan Chauhan, Raju Poddar In silico pharmacophore modeling and simulation studies for searching potent antileishmanials targeted against Leishmania donovani nicotinamidase. Search on Bibsonomy Comput. Biol. Chem. The full citation details ... 2019 DBLP  DOI  BibTeX  RDF
18Yingying Li, Jiale Peng, Penghua Li, Haibo Du, Yaping Li, Xingyong Liu, Li Zhang, Liang-Liang Wang, Zhili Zuo Identification of potential AMPK activator by pharmacophore modeling, molecular docking and QSAR study. Search on Bibsonomy Comput. Biol. Chem. The full citation details ... 2019 DBLP  DOI  BibTeX  RDF
18Chandan Kumar, Lakshmi P. T. V., Annamalai Arunachalam Structure based pharmacophore study to identify possible natural selective PARP-1 trapper as anti-cancer agent. Search on Bibsonomy Comput. Biol. Chem. The full citation details ... 2019 DBLP  DOI  BibTeX  RDF
18Sitrarasu Vijaya Prabhu, Sanjeev Kumar Singh E-pharmacophore-based screening of mGluR5 negative allosteric modulators for central nervous system disorder. Search on Bibsonomy Comput. Biol. Chem. The full citation details ... 2019 DBLP  DOI  BibTeX  RDF
18Mahmoud A. Al-Sha'er, Qosay A. E. Al-Balas, Mohammad A. Hassan, Ghazi A. Al Jabal, Ammar M. Almaaytah Combination of pharmacophore modeling and 3D-QSAR analysis of potential glyoxalase-I inhibitors as anticancer agents. Search on Bibsonomy Comput. Biol. Chem. The full citation details ... 2019 DBLP  DOI  BibTeX  RDF
18Shailima Rampogu, Shraddha Parate, Saravanan Parameswaran, Chanin Park, Ayoung Baek, Minky Son, YoHan Park, Seok Ju Park, Keun Woo Lee Natural compounds as potential Hsp90 inhibitors for breast cancer-Pharmacophore guided molecular modelling studies. Search on Bibsonomy Comput. Biol. Chem. The full citation details ... 2019 DBLP  DOI  BibTeX  RDF
18Satheeshkumar Sellamuthu, Ashok Kumar, Sushil Kumar Singh 0002 De novo drug design, pharmacophore search and molecular docking for inhibitors to treat TB and HIV co-infection. Search on Bibsonomy Int. J. Comput. Biol. Drug Des. The full citation details ... 2019 DBLP  DOI  BibTeX  RDF
18Mohemmed Faraz Khan, Garima Verma, Perwez Alam, Mymoona Akhter, Md Afroz Bakht, Syed Misbahul Hasan, Mohammad Shaquiquzzaman, Mohammad Mumtaz Alam Dibenzepinones, dibenzoxepines and benzosuberones based p38α MAP kinase inhibitors: Their pharmacophore modelling, 3D-QSAR and docking studies. Search on Bibsonomy Comput. Biol. Medicine The full citation details ... 2019 DBLP  DOI  BibTeX  RDF
18Youjun Xu, Shiwei Wang, Qiwan Hu, Shuaishi Gao, Xiaomin Ma, Weilin Zhang, Yihang Shen, Fangjin Chen, Luhua Lai, Jianfeng Pei CavityPlus: a web server for protein cavity detection with pharmacophore modelling, allosteric site identification and covalent ligand binding ability prediction. Search on Bibsonomy Nucleic Acids Res. The full citation details ... 2018 DBLP  DOI  BibTeX  RDF
18Haneesh Jasuja, Navriti Chadha, Pankaj Kumar Singh 0003, Maninder Kaur, Malkeet Singh Bahia, Om Silakari Putative dual inhibitors of Janus kinase 1 and 3 (JAK1/3): Pharmacophore based hierarchical virtual screening. Search on Bibsonomy Comput. Biol. Chem. The full citation details ... 2018 DBLP  DOI  BibTeX  RDF
18Muhammad Arba, Andry Nur-Hidayat, Slamet Ibrahim Surantaadmaja, Daryono Hadi Tjahjono Pharmacophore-based virtual screening for identifying β5 subunit inhibitor of 20S proteasome. Search on Bibsonomy Comput. Biol. Chem. The full citation details ... 2018 DBLP  DOI  BibTeX  RDF
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