Search results for "inhibitor"

Hits ?▲	Authors	Title	Venue	Year	Link	Author keywords
88	Paolo Baldan, Nadia Busi, Andrea Corradini 0001, G. Michele Pinna	Functorial Concurrent Semantics for Petri Nets with Read and Inhibitor Arcs.	CONCUR	2000	DBLP DOI BibTeX RDF
73	Nadia Busi, G. Michele Pinna	Synthesis of Nets with Inhibitor Arcs.	CONCUR	1997	DBLP DOI BibTeX RDF
73	Søren Christensen, Niels Damgaard Hansen	Coloured Petri Nets Extended with Place Capacities, Test Arcs and Inhibitor Arcs.	Application and Theory of Petri Nets	1993	DBLP DOI BibTeX RDF
71	H. C. M. Kleijn, Maciej Koutny	Infinite Process Semantics of Inhibitor Nets.	ICATPN	2006	DBLP DOI BibTeX RDF	theory of concurrency, weighted inhibitor arcs, causality semantics, infinite processes, occurrence nets, Petri nets, step sequences
71	H. C. M. Kleijn, Maciej Koutny	Causality Semantics of Petri Nets with Weighted Inhibitor Arcs.	CONCUR	2002	DBLP DOI BibTeX RDF	theory of concurrency, weighted inhibitor arcs, causality semantics, occurrence nets, Petri nets, step sequences
59	Marta Pietkiewicz-Koutny	Synthesis of Net Systems with Inhibitor Arcs from Step Transition Systems.	ACSD	2001	DBLP DOI BibTeX RDF	causality/partial order theory of concurrency, structure and behaviour of nets, analysis and synthesis, theory of regions
59	Marta Pietkiewicz-Koutny	Transition Systems of Elementary Net Systems with Inhibitor Arcs.	ICATPN	1997	DBLP DOI BibTeX RDF	causality/partial order theory of concurrency, structure and behaviour of nets, analysis and synthesis
53	Norihiro Kamide	Phase Semantics and Petri Net Interpretation for Resource-Sensitive Strong Negation.	J. Log. Lang. Inf.	2006	DBLP DOI BibTeX RDF	electric circuit, linear logic with strong negation, Petri net with inhibitor arc, phase semantics, medical diagnosis
52	Federica Lombardi, Kalyan Golla, Darren J. Fitzpatrick, Fergal P. Casey, Niamh Moran, Denis C. Shields	Discovering Anti-platelet Drug Combinations with an Integrated Model of Activator-Inhibitor Relationships, Activator-Activator Synergies and Inhibitor-Inhibitor Synergies.	PLoS Comput. Biol.	2015	DBLP DOI BibTeX RDF
45	Li Xing, Ravi G. Kurumbail, Ronald B. Frazier, Michael S. Davies, Hideji Fujiwara, Robin A. Weinberg, James K. Gierse, Nicole Caspers, Jeffrey S. Carter, Joseph J. McDonald, William M. Moore, Michael L. Vazquez	Homo-timeric structural model of human microsomal prostaglandin E synthase-1 and characterization of its substrate/inhibitor binding interactions.	J. Comput. Aided Mol. Des.	2009	DBLP DOI BibTeX RDF	Microsomal prostaglandin E synthase type 1 (mPGES-1), Prostaglandin H2 (PGH2), Glutathione (GSH), Homo-trimer, Three-fold symmetry, Induced fit docking, Binding stoichiometry, Structure-based design, Homology modeling
45	Mingzhou (Joe) Song, Z. Lewis Liu	A Linear Discrete Dynamic System Model for Temporal Gene Interaction and Regulatory Network Influence in Response to Bioethanol Conversion Inhibitor HMF for Ethanologenic Yeast.	Systems Biology and Computational Proteomics	2006	DBLP DOI BibTeX RDF
45	Changhui Yan, Vasant G. Honavar, Drena Dobbs	Identification of interface residues in protease-inhibitor and antigen-antibody complexes: a support vector machine approach.	Neural Comput. Appl.	2004	DBLP DOI BibTeX RDF
45	Olivier H. Roux, Didier Lime	Time Petri Nets with Inhibitor Hyperarcs. Formal Semantics and State Space Computation.	ICATPN	2004	DBLP DOI BibTeX RDF
45	H. C. M. Kleijn, Maciej Koutny	Process Semantics of P/T-Nets with Inhibitor Arcs.	ICATPN	2000	DBLP DOI BibTeX RDF	Causality/partial order theory of concurrency, structure and behaviour of nets, analysis and synthesis
45	Ryszard Janicki, Maciej Koutny	Invariant Semantics of Nets with Inhibitor Arcs.	CONCUR	1991	DBLP DOI BibTeX RDF
42	Chunyan Zhang, Jin Du, Ruisheng Zhang, Xiaoliang Fan, Yongna Yuan, Ting Ning	Extracting Information of Anti-AIDS Inhibitor from the Biological Literature Based on Ontology.	FAW	2007	DBLP DOI BibTeX RDF	anti-AIDS, Inhibitor, Ontology, Information Extraction, Annotation
42	Marta Pietkiewicz-Koutny	Synthesis of ENI-systems Using Minimal Regions.	CONCUR	1998	DBLP DOI BibTeX RDF
39	Falko Dressler	Bio-inspired Feedback Loops for Self-Organized Event Detection in SANETs.	IWSOS	2008	DBLP DOI BibTeX RDF	inhibitor, network-centric operation, bio-inspired networking, promoter, feedback loop, Sensor and actor networks
39	Maciej Koutny, Marta Pietkiewicz-Koutny	Synthesis of Elementary Net Systems with Context Arcs and Localities.	ICATPN	2007	DBLP DOI BibTeX RDF	theory of concurrency, net synthesis, step sequence semantics, inhibitor arcs, activator arcs, context arcs, Petri nets, localities, transition systems, structure and behaviour of nets, elementary net systems, theory of regions
39	Giovanna Di Marzo Serugendo, Dino Mandrioli, Didier Buchs, Nicolas Guelfi	Real-Time Synchronised Petri Nets.	ICATPN	2002	DBLP DOI BibTeX RDF	CO-OPN, inhibitor arcs, real-time, Petri nets
34	Zhi-Zheng Wang, Ming-Shu Wang, Fan Wang, Xing-Xing Shi, Wei Huang, Ge-Fei Hao, Guangfu Yang	Exploring the kinase-inhibitor fragment interaction space facilitates the discovery of kinase inhibitor overcoming resistance by mutations.	Briefings Bioinform.	2022	DBLP DOI BibTeX RDF
34	Xiulan Lai, Avner Friedman	Combination therapy for melanoma with BRAF/MEK inhibitor and immune checkpoint inhibitor: a mathematical model.	BMC Syst. Biol.	2017	DBLP DOI BibTeX RDF
34	Mohammad Uzzal Hossain, Arafat Rahman Oany, Shah Adil Ishtiyaq Ahmad, Md. Anayet Hasan, Md. Arif Khan, Md Al Ahad Siddikey	Identification of potential inhibitor and enzyme-inhibitor complex on trypanothione reductase to control Chagas disease.	Comput. Biol. Chem.	2016	DBLP DOI BibTeX RDF
34	Yi-Yuan Chiu, Chih-Ta Lin, Jhang-Wei Huang, Kai-Cheng Hsu, Jen-Hu Tseng, Syuan-Ren You, Jinn-Moon Yang	KIDFamMap: a database of kinase-inhibitor-disease family maps for kinase inhibitor selectivity and binding mechanisms.	Nucleic Acids Res.	2013	DBLP DOI BibTeX RDF
34	David Ryan Koes, Carlos J. Camacho	Small-molecule inhibitor starting points learned from protein-protein interaction inhibitor structure.	Bioinform.	2012	DBLP DOI BibTeX RDF
34	David Ryan Koes, Carlos J. Camacho	Small-molecule inhibitor starting points learned from protein-protein interaction inhibitor structure.	Bioinform.	2012	DBLP DOI BibTeX RDF
31	Jufang Shan, Jie J. Zheng	Optimizing Dvl PDZ domain inhibitor by exploring chemical space.	J. Comput. Aided Mol. Des.	2009	DBLP DOI BibTeX RDF	Chemical space, PDZ domain inhibitors, Wnt signaling pathway, SAR, Virtual screening, NMR
31	Gabriel Juhás, Robert Lorenz 0001, Sebastian Mauser	Complete Process Semantics for Inhibitor Nets.	ICATPN	2007	DBLP DOI BibTeX RDF
31	Robert Lorenz 0001, Sebastian Mauser, Robin Bergenthum	Theory of Regions for the Synthesis of Inhibitor Nets from Scenarios.	ICATPN	2007	DBLP DOI BibTeX RDF
31	Robert Lorenz 0001, Sebastian Mauser, Robin Bergenthum	Testing the executability of scenarios in general inhibitor nets.	ACSD	2007	DBLP DOI BibTeX RDF
31	Piyarat Nimmanpipug, Vannajan Sanghiran Lee, Jeerayut Chaijaruwanich, Sukon Prasitwattanaseree, Patrinee Traisathit	Structural Screening of HIV-1 Protease/Inhibitor Docking by Non-parametric Binomial Distribution Test.	BIRD	2007	DBLP DOI BibTeX RDF	HIV-1 protease, Binomial Distribution Test, Saquinavir, 3-Oxotirucalla-7, 24-Dien-21-Oic Acid, Docking
31	Bo Jin, Yan-Qing Zhang 0001	Evolutionary Construction of Granular Kernel Trees for Cyclooxygenase-2 Inhibitor Activity Comparison.	Trans. Comp. Sys. Biology	2006	DBLP DOI BibTeX RDF
31	Bo Jin, Yan-Qing Zhang 0001	Genetic Granular Kernel Methods for Cyclooxygenase-2 Inhibitor Activity Comparison.	ISNN (1)	2006	DBLP DOI BibTeX RDF
31	S. Kashif Sadiq, Stefan J. Zasada, Peter V. Coveney	Grid Assisted Ensemble Molecular Dynamics Simulations of HIV-1 Proteases Reveal Novel Conformations of the Inhibitor Saquinavir.	CompLife	2006	DBLP DOI BibTeX RDF
31	Andrew Wuensche	On Spiral Glider-Guns in Hexagonal Cellular Automata: Activator-Inhibitor Paradigm.	ACRI	2006	DBLP DOI BibTeX RDF
31	G. Michele Pinna	Event Structures for the Collective Tokens Philosophy of Inhibitor Nets.	MFCS	2005	DBLP DOI BibTeX RDF
31	Gihan Dawelbait, Christian Pilarsky, Yanju Zhang, Robert Grützmann, Michael Schroeder 0001	Structural Protein Interactions Predict Kinase-Inhibitor Interactions in Upregulated Pancreas Tumour Genes Expression Data.	CompLife	2005	DBLP DOI BibTeX RDF
31	Levon A. Tavadyan, Gagik A. Martoyan, Seyran H. Minasyan	Numerical Revelation of the Molecular Structure for Reaction Effective Stimulator or Inhibitor by the Method of Hamiltonean Systematization of Chemical Reaction System Kinetic Models.	International Conference on Computational Science	2003	DBLP DOI BibTeX RDF
28	Phornphimon Maitarad, Sumalee Kamchonwongpaisan, Jarunee Vanichtanankul, Tirayut Vilaivan, Yongyuth Yuthavong, Supa Hannongbua	Interactions between cycloguanil derivatives and wild type and resistance-associated mutant Plasmodium falciparum dihydrofolate reductases.	J. Comput. Aided Mol. Des.	2009	DBLP DOI BibTeX RDF	Dihydrofolate reductase, Cycloguanil, WR99210, CoMFA, Quantum chemical calculations
28	Louis-Marie Traonouez, Didier Lime, Olivier H. Roux	Parametric Model-Checking of Time Petri Nets with Stopwatches Using the State-Class Graph.	FORMATS	2008	DBLP DOI BibTeX RDF	state-class graph, model-checking, Time Petri nets, parameters, stopwatches
28	Ferrante Neri, Jari Toivanen, Raino A. E. Mäkinen	An adaptive evolutionary algorithm with intelligent mutation local searchers for designing multidrug therapies for HIV.	Appl. Intell.	2007	DBLP DOI BibTeX RDF
28	Muhammad Muddassar, F. A. Pasha, Hwan Won Chung, Kyung Ho Yoo, Chang Hyun Oh, Seung Joo Cho	The Receptor Guided 3D-QSAR Method is a Powerful Tool to Design More Potent IGF-1R Inhibitors.	FBIT	2007	DBLP DOI BibTeX RDF
28	Gabriel Juhás, Robert Lorenz 0001, Tomás Singliar	On Synchronicity and Concurrency in Petri Nets.	ICATPN	2003	DBLP DOI BibTeX RDF
28	Wlodzimierz M. Zuberek	M-timed Petri nets, priorities, preemptions, and performance evaluation of Petri nets.	Applications and Theory in Petri Nets	1985	DBLP DOI BibTeX RDF
25	Xiaoqing Liu, Zhilong Xiu, Ce Hao	Drug-resistant molecular mechanism of CRF01_AE HIV-1 protease due to V82F mutation.	J. Comput. Aided Mol. Des.	2009	DBLP DOI BibTeX RDF	CRF01_AE HIV-1 protease, Inhibitor, Mutation, Resistance, Molecular dynamics simulation
25	Alfons Geser, Dieter Hofbauer, Johannes Waldmann	Termination Proofs for String Rewriting Systems via Inverse Match-Bounds.	J. Autom. Reason.	2005	DBLP DOI BibTeX RDF	match-bounded, inhibitor, termination, normalization, reachability, regular languages, context-free languages, semi-Thue systems, string rewriting systems
25	Carlos A. Heuser, Gernot Richter	Constructs for Modeling Information Systems with Petri Nets.	Application and Theory of Petri Nets	1992	DBLP DOI BibTeX RDF	side-condition, inhibitor arc, dead transition, information system, conceptual modeling, capacity, multiplicity, high-level Petri net
17	Aaron D. Danilack, Callum J. Dickson, Cihan Soylu, Mike Fortunato, Stephane Rodde, Hagen Munkler, Viktor Hornak, José S. Duca	Reactivities of acrylamide warheads toward cysteine targets: a QM/ML approach to covalent inhibitor design.	J. Comput. Aided Mol. Des.	2024	DBLP DOI BibTeX RDF
17	Yuki Matsukiyo, Chikashige Yamanaka, Yoshihiro Yamanishi	De Novo Generation of Chemical Structures of Inhibitor and Activator Candidates for Therapeutic Target Proteins by a Transformer-Based Variational Autoencoder and Bayesian Optimization.	J. Chem. Inf. Model.	2024	DBLP DOI BibTeX RDF
17	Michael Shapiro, Herut Dor, Anna Gurevich-Shapiro, Tal Etan, Ido Wolf	Institutional-Level Monitoring of Immune Checkpoint Inhibitor IrAEs Using a Novel Natural Language Processing Algorithmic Pipeline.	CoRR	2024	DBLP DOI BibTeX RDF
17	Zhouling Xie, Wei Ruan, Jiaojiao Guo, Yan Li, Siqi Zhou, Jing Zhao, Li Wan, Shan Xu, Qidong Tang, Pengwu Zheng, Linxiao Wang, Wufu Zhu	T5S1607 identified as a antibacterial FtsZ inhibitor：Virtual screening combined with bioactivity evaluation for the drug discovery.	Comput. Biol. Chem.	2024	DBLP DOI BibTeX RDF
17	Juanjuan Huang, Yabo Fang, Runze Wu, Tingzheng Xia, Xuan Wang, Jiwei Jia, Guoqing Wang	All-trans retinoic acid acts as a dual-purpose inhibitor of SARS-CoV-2 infection and inflammation.	Comput. Biol. Medicine	2024	DBLP DOI BibTeX RDF
17	Yehu Lv	Turing-Turing bifurcation in an activator-inhibitor system with gene expression time delay.	Commun. Nonlinear Sci. Numer. Simul.	2024	DBLP DOI BibTeX RDF
17	Rickard Brännvall	The Inhibitor: ReLU and Addition-Based Attention for Efficient Transformers (Student Abstract).	AAAI	2024	DBLP DOI BibTeX RDF
17	Julia Lanzl	Social Support as Technostress Inhibitor.	Bus. Inf. Syst. Eng.	2023	DBLP DOI BibTeX RDF
17	Rama Devi Chalasani, Y. Radhika	Prediction of ITK inhibitor kinases activity based on posterior probabilistic weighted average based ensemble voting classification.	J. Intell. Fuzzy Syst.	2023	DBLP DOI BibTeX RDF
17	Hirokazu Mishima, Yukihiro Itoh, Takashi Kurohara, Takayoshi Suzuki, Naoya Asada, Ken-ichi Kusakabe, Yuko Okamoto	Origin of the kinetic HDAC2-selectivity of an HDAC inhibitor.	J. Comput. Chem.	2023	DBLP DOI BibTeX RDF
17	Jinyoung Byun, Srivithya Vellampatti, Prathit Chatterjee, Sun Ha Hwang, Byoung Choul Kim, Juyong Lee	Characterization of the role of Kunitz-type protease inhibitor domain in dimerization of amyloid precursor protein.	J. Comput. Chem.	2023	DBLP DOI BibTeX RDF
17	Edgardo Villar-Sepúlveda, Alan R. Champneys	Degenerate Turing Bifurcation and the Birth of Localized Patterns in Activator-Inhibitor Systems.	SIAM J. Appl. Dyn. Syst.	2023	DBLP DOI BibTeX RDF
17	Theresa Kouril, Craig October, Stephanie Hollocks, Christoff Odendaal, David D. van Niekerk, Jacky L. Snoep	Inhibitor titrations reveal low control of glyceraldehyde 3-phosphate dehydrogenase and high control of hexokinase on glycolytic flux in an aggressive triple-negative breast cancer cell line.	Biosyst.	2023	DBLP DOI BibTeX RDF
17	Bo Liu, Juntao Ding, Yugang Liu, Jianzhang Wu, Xiaoping Wu, Qian Chen, Wulan Li	Elucidating the potential effects of point mutations on FGFR3 inhibitor resistance via combined molecular dynamics simulation and community network analysis.	J. Comput. Aided Mol. Des.	2023	DBLP DOI BibTeX RDF
17	Shengzhe Deng, Haiwei Zhang, Rongpei Gou, Ding Luo, Zerong Liu, Feng Zhu 0004, Weiwei Xue	Structure-Based Discovery of a Novel Allosteric Inhibitor against Human Dopamine Transporter.	J. Chem. Inf. Model.	2023	DBLP DOI BibTeX RDF
17	Kemel Arafet, Laura Scalvini, Francesca Galvani, Sergio Martí, Vicent Moliner, Marco Mor, Alessio Lodola	Mechanistic Modeling of Lys745 Sulfonylation in EGFR C797S Reveals Chemical Determinants for Inhibitor Activity and Discriminates Reversible from Irreversible Agents.	J. Chem. Inf. Model.	2023	DBLP DOI BibTeX RDF
17	Zi-Jun Yan, Chu-Ting Yu, Lei Chen, Hong-Yang Wang	Development of a TMErisk model based on immune infiltration in tumour microenvironment to predict prognosis of immune checkpoint inhibitor treatment in hepatocellular carcinoma.	Briefings Bioinform.	2023	DBLP DOI BibTeX RDF
17	Rickard Brännvall	The Inhibitor: ReLU and Addition-Based Attention for Efficient Transformers.	CoRR	2023	DBLP DOI BibTeX RDF
17	Anis Nadyra Zifruddin, Mohamad Ariff Mohamad Yusoff, Nur Syatila Abdul Ghani, Nor Azlan Nor Muhammad, Kok Wai Lam, Maizom Hassan	Ensemble-based, high-throughput virtual screening of potential inhibitor targeting putative farnesol dehydrogenase of Metisa plana (Lepidoptera: Psychidae).	Comput. Biol. Chem.	2023	DBLP DOI BibTeX RDF
17	Robert Malory Alarcon Flores, Simone Queiroz Pantaleão, Sheila Cruz Araujo, Humberto Miguel Garay-Malpartida, Káthia Maria Honório	Structural analysis of factors related to FAM3C/ILEI dimerization and identification of inhibitor candidates targeting cancer treatment.	Comput. Biol. Chem.	2023	DBLP DOI BibTeX RDF
17	Pi-Hui Chung, Chia-Jung Lee, Hsueh-Liang Wu, Cheng-Yu Lee	Innovation Promoter or Inhibitor? Non-Family CEO's Effect on Innovation in Family Businesses.	IEEE Trans. Engineering Management	2023	DBLP DOI BibTeX RDF
17	Andrea Mae Añonuevo, Marineil C. Gomez, Lemmuel Lara Tayo	In silico de novo drug design of a therapeutic peptide inhibitor against UBE2C in breast cancer.	J. Bioinform. Comput. Biol.	2023	DBLP DOI BibTeX RDF
17	Zhaoyang Hu, Qingsen Liu, Zhong Ni	Facilitating the drug repurposing with iC/E strategy: A practice on novel nNOS inhibitor discovery.	J. Bioinform. Comput. Biol.	2023	DBLP DOI BibTeX RDF
17	Saedeh Khadempar, Marzieh Lotfi, Fatemeh Haghiralsadat, Massoud Saidijam, Nasrin Ghasemi, Saeid Afshar	Lansoprazole as a potent HDAC2 inhibitor for treatment of colorectal cancer: An in-silico analysis and experimental validation.	Comput. Biol. Medicine	2023	DBLP DOI BibTeX RDF
17	Iftikhar Aslam Tayubi, Inamul Hasan Madar	Identification of potential inhibitor targeting KRAS mutation in Papillary Thyroid Carcinoma through molecular docking and dynamic simulation analysis.	Comput. Biol. Medicine	2023	DBLP DOI BibTeX RDF
17	Qingqing Du, Gao Tu, Yan Qian, Jingyi Yang, Xiaojun Yao, Weiwei Xue	Unbiased molecular dynamics simulation of a first-in-class small molecule inhibitor binds to oncostatin M.	Comput. Biol. Medicine	2023	DBLP DOI BibTeX RDF
17	Alomgir Hossain, Md Ekhtiar Rahman, Md Siddiqur Rahman, Khondokar Nasirujjaman, Mohammad Nurul Matin, Md. Omar Faruqe, Muhammad Fazle Rabbee	Identification of medicinal plant-based phytochemicals as a potential inhibitor for SARS-CoV-2 main protease (Mpro) using molecular docking and deep learning methods.	Comput. Biol. Medicine	2023	DBLP DOI BibTeX RDF
17	Piyush 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.	Comput. Biol. Medicine	2023	DBLP DOI BibTeX RDF
17	Ssu-Ting Lien, Tony Eight Lin, Jui-Hua Hsieh, Tzu-Ying Sung, Jun-Hong Chen, Kai-Cheng Hsu	Establishment of extensive artificial intelligence models for kinase inhibitor prediction: Identification of novel PDGFRB inhibitors.	Comput. Biol. Medicine	2023	DBLP DOI BibTeX RDF
17	Neeraj Kumar, Vishal Acharya	Machine intelligence-guided selection of optimized inhibitor for human immunodeficiency virus (HIV) from natural products.	Comput. Biol. Medicine	2023	DBLP DOI BibTeX RDF
17	Clare P. McCormack, Olivia Goethals, Nele Goeyvaerts, Xavier Woot de Trixhe, Peggy Geluykens, Doortje Borrenberghs, Neil M. Ferguson, Oliver Ackaert, Ilaria Dorigatti	Modelling the impact of JNJ-1802, a first-in-class dengue inhibitor blocking the NS3-NS4B interaction, on in-vitro DENV-2 dynamics.	PLoS Comput. Biol.	2023	DBLP DOI BibTeX RDF
17	Shujing Shi, Jicai Huang, Yang Kuang, Shigui Ruan	Stability and Hopf bifurcation of a tumor-immune system interaction model with an immune checkpoint inhibitor.	Commun. Nonlinear Sci. Numer. Simul.	2023	DBLP DOI BibTeX RDF
17	Valerie Reinisch, Amrit Paudel, Joana T. Pinto	Development of a Digital Interface for Personalized Dosing in Renal Impaired Patients: A Case-Study Using the ACE-Inhibitor Benazepril.	dHealth	2023	DBLP DOI BibTeX RDF
17	Yazan Mohammad Al-Rawashdeh, Mohammad Al Saaideh, Almuatazbellah M. Boker, Hoda Eldardiry, Marcel François Heertjes, Mohammad Al Janaideh	Trajectory Generation Using Activator-Inhibitor Systems.	CDC	2023	DBLP DOI BibTeX RDF
17	Clément Lecomte, Patrice Bonhomme	Energy Aware Strategy for Discrete Event Systems using Inhibitor P-Time Petri Nets and Deep Reinforcement Learning.	CoDIT	2023	DBLP DOI BibTeX RDF
17	Jéssika Cristina Nascente, Manuel Eduardo Ferreira, Gustavo Manzon Nunes	Integrated Fire Management as a Renewing Agent of Native Vegetation and Inhibitor of Invasive Plants in Vereda Habitats: Diagnosis by Remotely Piloted Aircraft Systems.	Remote. Sens.	2022	DBLP DOI BibTeX RDF
17	Ioanna Gkogka, Nicholas M. Glykos	Folding molecular dynamics simulation of T-peptide, a HIV viral entry inhibitor: Structure, dynamics, and comparison with the experimental data.	J. Comput. Chem.	2022	DBLP DOI BibTeX RDF
17	Afifa Navid, Sajjad Ahmad, Rida Sajjad, Saad Raza, Syed Sikander Azam	Structure Based in Silico Screening Revealed a Potent Acinetobacter Baumannii Ftsz Inhibitor From Asinex Antibacterial Library.	IEEE ACM Trans. Comput. Biol. Bioinform.	2022	DBLP DOI BibTeX RDF
17	Rasoul Asheghi	Hopf Bifurcation Analysis in a Gierer-Meinhardt Activator-Inhibitor Model.	Int. J. Bifurc. Chaos	2022	DBLP DOI BibTeX RDF
17	Richa Mardianingrum, Maywan Hariono, Ruswanto Ruswanto, Muhammad Yusuf, Muchtaridi Muchtaridi	Synthesis, Anticancer Activity, Structure-Activity Relationship, and Molecular Modeling Studies of α-Mangostin Derivatives as hERα Inhibitor.	J. Chem. Inf. Model.	2022	DBLP DOI BibTeX RDF
17	Gaurav Sharma, Lin Frank Song, Kenneth M. Merz Jr.	Effect of an Inhibitor on the ACE2-Receptor-Binding Domain of SARS-CoV-2.	J. Chem. Inf. Model.	2022	DBLP DOI BibTeX RDF
17	Ruihan Dong, Hongpeng Yang, Chengwei Ai, Guihua Duan, Jianxin Wang 0001, Fei Guo 0001	DeepBLI: A Transferable Multichannel Model for Detecting β-Lactamase-Inhibitor Interaction.	J. Chem. Inf. Model.	2022	DBLP DOI BibTeX RDF
17	Jannis Born, Tien Huynh, Astrid Stroobants, Wendy D. Cornell, Matteo Manica	Active Site Sequence Representations of Human Kinases Outperform Full Sequence Representations for Affinity Prediction and Inhibitor Generation: 3D Effects in a 1D Model.	J. Chem. Inf. Model.	2022	DBLP DOI BibTeX RDF
17	Austin Clyde, Stephanie Galanie, Daniel W. Kneller, Heng Ma, Yadu N. Babuji, Ben Blaiszik, Alexander Brace, Thomas S. Brettin, Kyle Chard, Ryan Chard, Leighton Coates, Ian T. Foster, Darin Hauner, Vilmos Kertesz, Neeraj Kumar, Hyungro Lee, Zhuozhao Li, André Merzky, Jurgen G. Schmidt, Li Tan, Mikhail Titov, Anda Trifan, Matteo Turilli, Hubertus Van Dam, Srinivas C. Chennubhotla, Shantenu Jha, Andrey Kovalevsky, Arvind Ramanathan, Martha S. Head, Rick Stevens	High-Throughput Virtual Screening and Validation of a SARS-CoV-2 Main Protease Noncovalent Inhibitor.	J. Chem. Inf. Model.	2022	DBLP DOI BibTeX RDF
17	Nisha Amarnath Jonniya, Parimal Kar	Functional Loop Dynamics and Characterization of the Inactive State of the NS2B-NS3 Dengue Protease due to Allosteric Inhibitor Binding.	J. Chem. Inf. Model.	2022	DBLP DOI BibTeX RDF
17	Yongjun Zang, Luyang Tai, Yuanyang Hu, Yu Wang, Hongbin Sun, Xiaoan Wen, Haoliang Yuan, Liang Dai	Discovery of a Novel Macrocyclic ATP Citrate Lyase Inhibitor.	J. Chem. Inf. Model.	2022	DBLP DOI BibTeX RDF
17	Angela Parise, Giada Ciardullo, Mario Prejanò, Aurélien de la Lande, Tiziana Marino	On the Recognition of Natural Substrate CTP and Endogenous Inhibitor ddhCTP of SARS-CoV-2 RNA-Dependent RNA Polymerase: A Molecular Dynamics Study.	J. Chem. Inf. Model.	2022	DBLP DOI BibTeX RDF
17	Tatsuya Yoshizawa, Shoichi Ishida, Tomohiro Sato, Masateru Ohta, Teruki Honma, Kei Terayama	Selective Inhibitor Design for Kinase Homologs Using Multiobjective Monte Carlo Tree Search.	J. Chem. Inf. Model.	2022	DBLP DOI BibTeX RDF
17	Hongmao Sun, Nathan P. Coussens, Carina Danchik, Leah M. Wachsmuth, Mark J. Henderson, Samarjit Patnaik, Matthew D. Hall, Ashley L. Molinaro, Dayle A. Daines, Min Shen	Discovery of Small-Molecule VapC1 Nuclease Inhibitors by Virtual Screening and Scaffold Hopping from an Atomic Structure Revealing Protein-Protein Interactions with a Native VapB1 Inhibitor.	J. Chem. Inf. Model.	2022	DBLP DOI BibTeX RDF
17	Raitis Bobrovs, Emils Edgars Basens, Laura Drunka, Iveta Kanepe, Sofija Matisone, Karlis Kristofers Velins, Victor Andrianov, Gundars Leitis, Diana Zelencova-Gopejenko, Dace Rasina, Aigars Jirgensons, Kristaps Jaudzems	Exploring Aspartic Protease Inhibitor Binding to Design Selective Antimalarials.	J. Chem. Inf. Model.	2022	DBLP DOI BibTeX RDF
17	Masahiko Taguchi, Ryo Oyama, Masahiro Kaneso, Shigehiko Hayashi	Hybrid QM/MM Free-Energy Evaluation of Drug-Resistant Mutational Effect on the Binding of an Inhibitor Indinavir to HIV-1 Protease.	J. Chem. Inf. Model.	2022	DBLP DOI BibTeX RDF
17	Zi-Yi Yang, Zhaofeng Ye, Yijia Xiao, Chang-Yu Hsieh, Sheng-Yu Zhang	SPLDExtraTrees: robust machine learning approach for predicting kinase inhibitor resistance.	Briefings Bioinform.	2022	DBLP DOI BibTeX RDF
17	Chao Pang, Yu Wang, Yi Jiang, Ruheng Wang, Ran Su, Leyi Wei	Multi-view deep learning based molecule design and structural optimization accelerates the SARS-CoV-2 inhibitor discovery.	CoRR	2022	DBLP DOI BibTeX RDF