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Publication years (Num. hits)
1977-1991 (16) 1992-1994 (20) 1995 (21) 1996-1998 (16) 1999-2001 (24) 2002-2003 (23) 2004 (26) 2005 (30) 2006 (33) 2007 (28) 2008 (18) 2009 (30) 2010-2011 (17) 2012-2013 (24) 2014-2015 (28) 2016 (17) 2017-2018 (24) 2019 (15) 2020-2021 (44) 2022 (19) 2023 (25) 2024 (6)
Publication types (Num. hits)
article(288) data(1) incollection(3) inproceedings(203) phdthesis(8) proceedings(1)
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The graphs summarize 168 occurrences of 124 keywords

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Found 504 publication records. Showing 504 according to the selection in the facets
Hits ? Authors Title Venue Year Link Author keywords
96Osamu Maruyama, Takayoshi Shoudai, Emiko Furuichi, Satoru Kuhara, Satoru Miyano Learning Conformation Rules. Search on Bibsonomy Discovery Science The full citation details ... 2001 DBLP  DOI  BibTeX  RDF
93Xiangyang Ju, Zhili Mao, J. Paul Siebert, Nigel J. B. McFarlane, Jiahua Wu, Robin D. Tillett Applying Mesh Conformation on Shape Analysis with Missing Data. Search on Bibsonomy 3DPVT The full citation details ... 2004 DBLP  DOI  BibTeX  RDF dense 3D correspondence, 3D shape analysis, missing data, conformation
90L. Strub, J. Robinson Automated facial conformation for model-based videophone coding. Search on Bibsonomy ICIP The full citation details ... 1995 DBLP  DOI  BibTeX  RDF model based videophone coding, automated facial conformation, head and shoulders video sequence, videophone application, video sequence transmission, model deformations, flexible template matching, steepest gradient search method, optimal conformation, generic facial model, texture information, algorithm, face recognition, face recognition, image sequences, video coding, image matching, search problems, frame, image texture, videotelephony
67Peng Zhou 0003, Xiang Chen, Zhicai Shang Side-chain conformational space analysis (SCSA): A multi conformation-based QSAR approach for modeling and prediction of protein-peptide binding affinities. Search on Bibsonomy J. Comput. Aided Mol. Des. The full citation details ... 2009 DBLP  DOI  BibTeX  RDF Multi-conformation-based quantitative structure-activity relationship, Side-chain conformational space analysis, Rotamer library, Self-consistent mean field theory, Protein-peptide complex, HLA-A*0201-restricted CTL epitope
67Rajeswar R. Gattupalli, Angelo Lucia Molecular conformation of n -alkanes using terrain/funneling methods. Search on Bibsonomy J. Glob. Optim. The full citation details ... 2009 DBLP  DOI  BibTeX  RDF Multi-scale global optimization, Terrain methods, Funneling methods, n-alkane molecular conformation, Fuel oils
65Xiangchao Gan, Leonidas Kapsokalivas, Andreas Alexander Albrecht, Kathleen Steinhöfel A Symmetry-Free Subspace for Ab initioProtein Folding Simulations. Search on Bibsonomy BIRD The full citation details ... 2008 DBLP  DOI  BibTeX  RDF
62Gordon M. Crippen Protein folding potential functions. Search on Bibsonomy HICSS (5) The full citation details ... 1995 DBLP  DOI  BibTeX  RDF macromolecules, potential energy functions, intramolecular mechanics, protein structure recognition problem, globular protein sequence, plausible protein conformations, native conformation, single-chain proteins, nonnative structures, multichain aggregates, disulphide bonds, bound ligands, protein folding, proteins, potential functions, molecular configurations
54Ket Fah Chong, Hon Wai Leong An extension of dead end elimination for protein side-chain conformation using merge-decoupling. Search on Bibsonomy SAC The full citation details ... 2006 DBLP  DOI  BibTeX  RDF protein side chain conformation, algorithm
52Lech Znamirowski Non-gradient, Sequential Algorithm for Simulation of Nascent Polypeptide Folding. Search on Bibsonomy International Conference on Computational Science (1) The full citation details ... 2005 DBLP  DOI  BibTeX  RDF
52Alessandro Dal Palù, Agostino Dovier, Federico Fogolari Protein Folding Simulation in CCP. Search on Bibsonomy ICLP The full citation details ... 2004 DBLP  DOI  BibTeX  RDF
52Karl-Heinz Zimmermann A Special Purpose Array Processor Architecture for the Molecular Dynamics Simulation of Point-Mutated Proteins. Search on Bibsonomy J. VLSI Signal Process. The full citation details ... 2003 DBLP  DOI  BibTeX  RDF point mutation, penicillin amidase, parallel processing, molecular dynamics, protein, array processor
52Y. Zenmei Ohkubo, Gordon M. Crippen Determining contact energy function for continuous state models of globular protein conformations. Search on Bibsonomy RECOMB The full citation details ... 2000 DBLP  DOI  BibTeX  RDF
50Panos M. Pardalos, David Shalloway, Guoliang Xue (eds.) Global Minimization of Nonconvex Energy Functions: Molecular Conformation and Protein Folding, Proceedings of a DIMACS Workshop, USA, March 20-21, 1995 Search on Bibsonomy Global Minimization of Nonconvex Energy Functions: Molecular Conformation and Protein Folding The full citation details ... 1996 DBLP  DOI  BibTeX  RDF
50Andrew T. Phillips, J. Ben Rosen, Vann Howard Walke Molecular structure determination by convex, global underestimation of local energy minima. Search on Bibsonomy Global Minimization of Nonconvex Energy Functions: Molecular Conformation and Protein Folding The full citation details ... 1995 DBLP  DOI  BibTeX  RDF
50Jorge J. Moré, Zhijun Wu E-optimal solutions to distance geometry problems via global continuation. Search on Bibsonomy Global Minimization of Nonconvex Energy Functions: Molecular Conformation and Protein Folding The full citation details ... 1995 DBLP  DOI  BibTeX  RDF
50Jaroslaw Kostrowicki, Harold A. Scheraga Some approaches to the multiple-minima problem in protein folding. Search on Bibsonomy Global Minimization of Nonconvex Energy Functions: Molecular Conformation and Protein Folding The full citation details ... 1995 DBLP  DOI  BibTeX  RDF
50 Preface. Search on Bibsonomy Global Minimization of Nonconvex Energy Functions: Molecular Conformation and Protein Folding The full citation details ... 1995 DBLP  BibTeX  RDF
50Xiche Hu, Dong Xu, Kenneth Hamer, Klaus Schulten, Juergen Koepke, Hartmut Michel Knowledge based structure prediction of the light-harvesting complex II of Rhodospirillum molishianum. Search on Bibsonomy Global Minimization of Nonconvex Energy Functions: Molecular Conformation and Protein Folding The full citation details ... 1995 DBLP  DOI  BibTeX  RDF
50Andrej Sali, Eugene I. Shakhnovich, Martin Karplus Thermodynamics and kinetics of protein folding. Search on Bibsonomy Global Minimization of Nonconvex Energy Functions: Molecular Conformation and Protein Folding The full citation details ... 1995 DBLP  DOI  BibTeX  RDF
50Herbert A. Hauptman A minimal principle in the phase problem of X-ray crystallography. Search on Bibsonomy Global Minimization of Nonconvex Energy Functions: Molecular Conformation and Protein Folding The full citation details ... 1995 DBLP  DOI  BibTeX  RDF
50Ruth Pachter, Zhiqiang Wang, James A. Lupo, Steven B. Fairchild, Brian Sennett The design of chromophore containing biomolecules. Search on Bibsonomy Global Minimization of Nonconvex Energy Functions: Molecular Conformation and Protein Folding The full citation details ... 1995 DBLP  DOI  BibTeX  RDF
50Richard H. Byrd, Elizabeth Eskow, André van der Hoek, Robert B. Schnabel, Chung-Shang Shao, Zhihong Zou Global optimization methods for protein folding problems. Search on Bibsonomy Global Minimization of Nonconvex Energy Functions: Molecular Conformation and Protein Folding The full citation details ... 1995 DBLP  DOI  BibTeX  RDF
50Jun Gu, Bin Du A multispace search algorithm for molecular energy minimization. Search on Bibsonomy Global Minimization of Nonconvex Energy Functions: Molecular Conformation and Protein Folding The full citation details ... 1995 DBLP  DOI  BibTeX  RDF
50Bruce W. Church, Matej Oresic, David Shalloway Tracking metastable states to free-energy global minima. Search on Bibsonomy Global Minimization of Nonconvex Energy Functions: Molecular Conformation and Protein Folding The full citation details ... 1995 DBLP  DOI  BibTeX  RDF
50Costas D. Maranas, Ioannis P. Androulakis, Christodoulos A. Floudas A deterministic global optimization approach for the protein folding problem. Search on Bibsonomy Global Minimization of Nonconvex Energy Functions: Molecular Conformation and Protein Folding The full citation details ... 1995 DBLP  DOI  BibTeX  RDF
50Robert E. Bruccoleri Energy directed conformational search of protein loops and segments. Search on Bibsonomy Global Minimization of Nonconvex Energy Functions: Molecular Conformation and Protein Folding The full citation details ... 1995 DBLP  DOI  BibTeX  RDF
50Patricia Amara, Jianpeng Ma, John E. Straub Global minimization on rugged energy landscapes. Search on Bibsonomy Global Minimization of Nonconvex Energy Functions: Molecular Conformation and Protein Folding The full citation details ... 1995 DBLP  DOI  BibTeX  RDF
50 Foreword. Search on Bibsonomy Global Minimization of Nonconvex Energy Functions: Molecular Conformation and Protein Folding The full citation details ... 1995 DBLP  BibTeX  RDF
49Hesham Awadh Abdallah Bahamish, Rosni Abdullah, Rosalina Abdul Salam Protein Conformational Search Using Bees Algorithm. Search on Bibsonomy Asia International Conference on Modelling and Simulation The full citation details ... 2008 DBLP  DOI  BibTeX  RDF Bees Algorithm, Protein Conformation, Swarm Intelligence
49Chong Wang, Antje Krause, Chris D. Nugent, Werner Dubitzky Markov Modeling of Conformational Kinetics of Cardiac Ion Channel Proteins. Search on Bibsonomy ISBMDA The full citation details ... 2006 DBLP  DOI  BibTeX  RDF time constant, Markov model, mutation, conformation, ion channel
41David M. Cherba, William F. Punch, Phillip M. Duxbury, Simon J. L. Billinge, Pavol Juhas Conformation of an ideal bucky ball molecule by genetic algorithm and geometric constraint from pair distance data: genetic algorithm. Search on Bibsonomy GECCO The full citation details ... 2005 DBLP  DOI  BibTeX  RDF NP-hard search, bucky ball, spatial crossover, genetic algorithm, molecular conformation
39Yaohang Li A Population-Based Approach for Diversified Protein Loop Structure Sampling. Search on Bibsonomy ICCS (1) The full citation details ... 2009 DBLP  DOI  BibTeX  RDF
39Tamjidul Hoque, Madhu Chetty, Andrew Lewis, Abdul Sattar 0001 DFS Based Partial Pathways in GA for Protein Structure Prediction. Search on Bibsonomy PRIB The full citation details ... 2008 DBLP  DOI  BibTeX  RDF genetic algorithm, protein structure prediction, Depth-first search, lattice model
39Thang Nguyen Bui, Gnanasekaran Sundarraj An efficient genetic algorithm for predicting protein tertiary structures in the 2D HP model. Search on Bibsonomy GECCO The full citation details ... 2005 DBLP  DOI  BibTeX  RDF 2D HP model, protein folding problem, genetic algorithm
36Simeon Carstens Bayesian structure determination from Chromosome Conformation Capture data and avenues to improve conformational sampling (Bayes'sche Strukturbestimmung anhand von Chromosome Conformation Capture-Daten und Wege zur Verbesserung des Samplings von Konformationen) (PDF / PS) Search on Bibsonomy 2016   RDF
36Rasha E. Boulos Human genome segmentation into structural domains : from chromatin conformation data to nuclear functions. (Segmentation du génome humain en domaines structuraux : des données de conformation de la chromatine aux fonctions nucléaires). Search on Bibsonomy 2015   RDF
36Hervé Marie-Nelly A probabilistic approach for genome assembly from high-throughput chromosome conformation capture data. (Une approche probabiliste pour l'assemblage de génomes à partir de données de capture de conformation de chromosomes à haut débit). Search on Bibsonomy 2013   RDF
36S. S. Sheik, Prasanna Sundararajan, V. Shanthi, Krishna Sekar CAP: Conformation Angles Package - Displaying the Conformation Angles of Side Chains in Proteins. Search on Bibsonomy Bioinform. The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
36Andrea Grosso, Marco Locatelli 0001, Fabio Schoen A Population-based Approach for Hard Global Optimization Problems based on Dissimilarity Measures. Search on Bibsonomy Math. Program. The full citation details ... 2007 DBLP  DOI  BibTeX  RDF Large scale global optimization, Multistart, Basin hopping, Population-based approaches, Molecular conformation problems
36David M. Cherba, William F. Punch Crossover gene selection by spatial location. Search on Bibsonomy GECCO The full citation details ... 2006 DBLP  DOI  BibTeX  RDF algorithm crossover, genetic algorithm, molecular conformation
36Josep Carmona 0001, Jordi Cortadella Input/Output Compatibility of Reactive Systems. Search on Bibsonomy FMCAD The full citation details ... 2002 DBLP  DOI  BibTeX  RDF Input/Output compatibility, Synchronous product, Petri nets, Reactive systems, Conformation, Observational equivalence, Trace theory
36Zhirong Sun, Tom L. Blundell The pattern of common supersecondary structure (motifs) in protein database. Search on Bibsonomy HICSS (5) The full citation details ... 1995 DBLP  DOI  BibTeX  RDF common supersecondary structure, supersecondary motifs, residue conformation, nonregular structure regions, sequence pattern, database management systems, biology computing, proteins, proteins, motifs, chemistry computing, structure prediction, protein database, homology modelling
31Peggy Yao, Ankur Dhanik, Nathan Marz, Ryan Propper, Charles Kou, Guanfeng Liu, Henry van den Bedem, Jean-Claude Latombe, Inbal Halperin-Landsberg, Russ B. Altman Efficient Algorithms to Explore Conformation Spaces of Flexible Protein Loops. Search on Bibsonomy IEEE ACM Trans. Comput. Biol. Bioinform. The full citation details ... 2008 DBLP  DOI  BibTeX  RDF Robotics, Biology and genetics
31Susanne Beiersdörfer, Jens B. Schmitt, Markus Sauer, Andreas Schulz, Stefan Siebert 0003, Jürgen Hesser, Reinhard Männer, Jürgen Wolfrum Finding the Conformation of Organic Molecules with Genetic Algorithms. Search on Bibsonomy PPSN The full citation details ... 1996 DBLP  DOI  BibTeX  RDF
26Kimberly A. Reynolds, Vsevolod Katritch, Ruben Abagyan Identifying conformational changes of the beta2 adrenoceptor that enable accurate prediction of ligand/receptor interactions and screening for GPCR modulators. Search on Bibsonomy J. Comput. Aided Mol. Des. The full citation details ... 2009 DBLP  DOI  BibTeX  RDF ?2 Adrenoceptor, Agonist, Virtual ligand screening, GPCR, MMFF, Homology model, G-protein coupled receptor
26Alan T. Asbeck, Sanjay Dastoor, Aaron Parness, Laurel Fullerton, Noe Esparza, Daniel Soto, Barrett Heyneman, Mark R. Cutkosky Climbing rough vertical surfaces with hierarchical directional adhesion. Search on Bibsonomy ICRA The full citation details ... 2009 DBLP  DOI  BibTeX  RDF
26Hiroto Sakai, Yusuke Ogura, Jun Tanida Positional State Representation and Its Transition Control for Photonic DNA Automaton. Search on Bibsonomy DNA The full citation details ... 2009 DBLP  DOI  BibTeX  RDF
26Alessandro Vullo, Andrea Passerini, Paolo Frasconi, Fabrizio Costa, Gianluca Pollastri On the Convergence of Protein Structure and Dynamics. Statistical Learning Studies of Pseudo Folding Pathways. Search on Bibsonomy EvoBIO The full citation details ... 2008 DBLP  DOI  BibTeX  RDF
26Yi Pan 0001 Protein Structure Prediction and Its Understanding Based on Machine Learning Methods. Search on Bibsonomy BIBE The full citation details ... 2007 DBLP  DOI  BibTeX  RDF
26Jack Xiao-Dong Yang, Roderick V. N. Melnik A New Constitutive Model for the Analysis of Semi-flexible Polymers with Internal Viscosity. Search on Bibsonomy International Conference on Computational Science (1) The full citation details ... 2007 DBLP  DOI  BibTeX  RDF Polymeric fluid, Dumbbell model, Internal viscosity
26Eli Hershkovitz, Guillermo Sapiro, Allen R. Tannenbaum, Loren Dean Williams Statistical Analysis of RNA Backbone. Search on Bibsonomy IEEE ACM Trans. Comput. Biol. Bioinform. The full citation details ... 2006 DBLP  DOI  BibTeX  RDF RNA backbone, local conformations, torsion angles, conformational motifs, statistical analysis, vector quantization
26Ashwin 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
26Ivelin Georgiev, Ryan H. Lilien, Bruce Randall Donald A Novel Minimized Dead-End Elimination Criterion and Its Application to Protein Redesign in a Hybrid Scoring and Search Algorithm for Computing Partition Functions over Molecular Ensembles. Search on Bibsonomy RECOMB The full citation details ... 2006 DBLP  DOI  BibTeX  RDF
26Vipin K. Tripathi, Bhaskar Dasgupta, Kalyanmoy Deb A Computational Method for Viewing Molecular Interactions in Docking. Search on Bibsonomy VIEW The full citation details ... 2006 DBLP  DOI  BibTeX  RDF
26Jie Song 0010, Jiaxing Cheng, Tingting Zheng Protein 3D HP model folding simulation based on ACO. Search on Bibsonomy ISDA (1) The full citation details ... 2006 DBLP  DOI  BibTeX  RDF
26Jiyuan An, Yi-Ping Phoebe Chen A Similarity Search Algorithm to Predict Protein Structures. Search on Bibsonomy KES (2) The full citation details ... 2006 DBLP  DOI  BibTeX  RDF
26Amandeep S. Sidhu, Tharam S. Dillon, Elizabeth Chang 0001, Baldev S. Sidhu Protein Ontology: Vocabulary for Protein Data. Search on Bibsonomy ICITA (1) The full citation details ... 2005 DBLP  DOI  BibTeX  RDF Protein Informatics, Biomedical Systems, Data Integration, Systems Biology, Biomedical Ontologies, Protein Ontology
26Chun-lian Li, Yu Sun 0010, Dong-yun Long, Xi-cheng Wang A Genetic Algorithm Based Method for Molecular Docking. Search on Bibsonomy ICNC (2) The full citation details ... 2005 DBLP  DOI  BibTeX  RDF
26Takashi Terashima, Hiroshi Shimanuki, Jien Kato, Toyohide Watanabe Method for Representing 3-D Virtual Origami. Search on Bibsonomy ICDAR The full citation details ... 2005 DBLP  DOI  BibTeX  RDF
26Yi Pan 0001 Protein structure prediction and understanding using machine learning methods. Search on Bibsonomy GrC The full citation details ... 2005 DBLP  DOI  BibTeX  RDF
26Shaoming Yang, Xiuqin Chen, M. Hasegawa, Seiji Motojima Conformations of Super-Elastic Carbon Micro/Nano-Springs and Their Properties. Search on Bibsonomy ICMENS The full citation details ... 2004 DBLP  DOI  BibTeX  RDF
26Holger Merlitz, Wolfgang Wenzel High Throughput in-silico Screening against Flexible Protein Receptors. Search on Bibsonomy ICCSA (3) The full citation details ... 2004 DBLP  DOI  BibTeX  RDF
26Mehmet Serkan Apaydin, Douglas L. Brutlag, Carlos Guestrin, David Hsu, Jean-Claude Latombe Stochastic roadmap simulation: an efficient representation and algorithm for analyzing molecular motion. Search on Bibsonomy RECOMB The full citation details ... 2002 DBLP  DOI  BibTeX  RDF
26Guang Song, Nancy M. Amato Using motion planning to study protein folding pathways. Search on Bibsonomy RECOMB The full citation details ... 2001 DBLP  DOI  BibTeX  RDF
26Mitsuru Kubo, Noboru Niki, Kenji Eguchi, Masahiro Kaneko, Masahiko Kusumoto, Noriyuki Moriyama, Hironobu Ohmatsu, Ryutaro Kakinuma, Hiroyuki Nishiyama, Kensaku Mori, A. Yamaguchi Extraction of Pulmonary Fissures from HRCT Images Based on Surface Curvatures Analysis and Morphology Filters. Search on Bibsonomy ICPR The full citation details ... 2000 DBLP  DOI  BibTeX  RDF
26Helio J. C. Barbosa, Fernanda M. P. Raupp, Carlile Lavor, H. Lima, Nelson Maculan A Hybrid Genetic Algorithm for Finding Stable Conformations of Small Molecules. Search on Bibsonomy SBRN The full citation details ... 2000 DBLP  DOI  BibTeX  RDF
26John Atkins, William E. Hart On the Intractability of Protein Folding with a Finite Alphabet of Amino Acids. Search on Bibsonomy Algorithmica The full citation details ... 1999 DBLP  DOI  BibTeX  RDF Protein folding, Protein structure prediction, Intractability
23Richard S. Judson Genetic Algorithms for Protein Structure Prediction. Search on Bibsonomy Encyclopedia of Optimization The full citation details ... 2009 DBLP  DOI  BibTeX  RDF Active site, Primary structure, Tertiary structure, Cartesian coordinates, Internal coordinates, Bond distance, Bond angle, Dihedral angle, Rotamer library, Rotamer, Empirical potential, Nonbonded distance, Optimization, Evolution, Configuration, Conformation, Protein structure, Secondary structure, Free energy, Amino acid
23Leo Liberti, Carlile Lavor, Nelson Maculan, Fabrizio Marinelli 0001 Double variable neighbourhood search with smoothing for the molecular distance geometry problem. Search on Bibsonomy J. Glob. Optim. The full citation details ... 2009 DBLP  DOI  BibTeX  RDF Global continuation, Variable neighbourhood search, Global optimization, Smoothing, Distance geometry, Molecular conformation
23Paulius Micikevicius, Narsingh Deo Cluster Computing for Determining Three-Dimensional Protein Structure. Search on Bibsonomy J. Supercomput. The full citation details ... 2005 DBLP  DOI  BibTeX  RDF parallel algorithms, Beowulf cluster, molecular conformation
23Klaus-Peter Zauner, Michael Conrad Molecular approach to informal computing. Search on Bibsonomy Soft Comput. The full citation details ... 2001 DBLP  DOI  BibTeX  RDF Protein conformation, Malate dehydrogenase, Interpretation, Coding, Algorithmic complexity
18Jiaxuan Li, Lei Wang, Zefeng Zhu, Chen Song Exploring the Alternative Conformation of a Known Protein Structure Based on Contact Map Prediction. Search on Bibsonomy J. Chem. Inf. Model. The full citation details ... 2024 DBLP  DOI  BibTeX  RDF
18Hamza Biyuzan, Mohamed-Akram Masrour, Lucas Grandmougin, Frédéric Payan, Dominique Douguet SENSAAS-Flex: a joint optimization approach for aligning 3D shapes and exploring the molecular conformation space. Search on Bibsonomy Bioinform. The full citation details ... 2024 DBLP  DOI  BibTeX  RDF
18Jiarui Lu, Zuobai Zhang, Bozitao Zhong, Chence Shi, Jian Tang 0005 Fusing Neural and Physical: Augment Protein Conformation Sampling with Tractable Simulations. Search on Bibsonomy CoRR The full citation details ... 2024 DBLP  DOI  BibTeX  RDF
18Yan Wang, Lihao Wang, Yuning Shen, Yiqun Wang, Huizhuo Yuan, Yue Wu, Quanquan Gu Protein Conformation Generation via Force-Guided SE(3) Diffusion Models. Search on Bibsonomy CoRR The full citation details ... 2024 DBLP  DOI  BibTeX  RDF
18Bobin Yang, Jie Deng, Zhenghan Chen, Ruoxue Wu Diffusion-Driven Generative Framework for Molecular Conformation Prediction. Search on Bibsonomy CoRR The full citation details ... 2024 DBLP  DOI  BibTeX  RDF
18Angxiao Yue, Dixin Luo, Hongteng Xu A Plug-and-Play Quaternion Message-Passing Module for Molecular Conformation Representation. Search on Bibsonomy AAAI The full citation details ... 2024 DBLP  DOI  BibTeX  RDF
18Kentaro Kido, Masashi Kaneko Conformation, hydration, and ligand exchange process of ruthenium nitrosyl complexes in aqueous solution: Free-energy calculations by a combination of molecular-orbital theories and different solvent models. Search on Bibsonomy J. Comput. Chem. The full citation details ... 2023 DBLP  DOI  BibTeX  RDF
18Ahmed Bin Zaman, Toki Tahmid Inan, Kenneth A. De Jong, Amarda Shehu Adaptive Stochastic Optimization to Improve Protein Conformation Sampling. Search on Bibsonomy IEEE ACM Trans. Comput. Biol. Bioinform. The full citation details ... 2023 DBLP  DOI  BibTeX  RDF
18Ge Song, Bozitao Zhong, Bo Zhang, Ashfaq Ur Rehman, Hai-Feng Chen Phosphorylation Modification Force Field FB18CMAP Improving Conformation Sampling of Phosphoproteins. Search on Bibsonomy J. Chem. Inf. Model. The full citation details ... 2023 DBLP  DOI  BibTeX  RDF
18Inacrist Geronimo, Pietro Vidossich, Marco de Vivo On the Role of Molecular Conformation of the 8-Oxoguanine Lesion in Damaged DNA Processing by Polymerases. Search on Bibsonomy J. Chem. Inf. Model. The full citation details ... 2023 DBLP  DOI  BibTeX  RDF
18Ching Ching Lam, Jonathan M. Goodman CONFPASS: Fast DFT Re-Optimizations of Structures from Conformation Searches. Search on Bibsonomy J. Chem. Inf. Model. The full citation details ... 2023 DBLP  DOI  BibTeX  RDF
18Süleyman Selim Çinaroglu, Philip C. Biggin Computed Protein-Protein Enthalpy Signatures as a Tool for Identifying Conformation Sampling Problems. Search on Bibsonomy J. Chem. Inf. Model. The full citation details ... 2023 DBLP  DOI  BibTeX  RDF
18Yang Jeong Park, Hyungi Kim, Jeonghee Jo, Sungroh Yoon Deep contrastive learning of molecular conformation for efficient property prediction. Search on Bibsonomy Nat. Comput. Sci. The full citation details ... 2023 DBLP  DOI  BibTeX  RDF
18Xingang Peng, Yipin Lei, Peiyuan Feng, Lemei Jia, Jianzhu Ma, Dan Zhao, Jianyang Zeng 0001 Characterizing the interaction conformation between T-cell receptors and epitopes with deep learning. Search on Bibsonomy Nat. Mac. Intell. The full citation details ... 2023 DBLP  DOI  BibTeX  RDF
18Jinguo Huang, Tianmiao Wang, Jianhong Liang, Xingbang Yang, Haodong Wang, Guixia Kang Biorobotic Waterfowl Flipper with Skeletal Skins in a Computational Framework: Kinematic Conformation and Hydrodynamic Analysis. Search on Bibsonomy Adv. Intell. Syst. The full citation details ... 2023 DBLP  DOI  BibTeX  RDF
18Jinguo Huang, Tianmiao Wang, Jianhong Liang, Xingbang Yang, Haodong Wang, Guixia Kang Biorobotic Waterfowl Flipper with Skeletal Skins in a Computational Framework: Kinematic Conformation and Hydrodynamic Analysis. Search on Bibsonomy Adv. Intell. Syst. The full citation details ... 2023 DBLP  DOI  BibTeX  RDF
18Kirk Swanson, Jake Lawrence Williams, Eric M. Jonas Von Mises Mixture Distributions for Molecular Conformation Generation. Search on Bibsonomy CoRR The full citation details ... 2023 DBLP  DOI  BibTeX  RDF
18 On Accelerating Diffusion-based Molecular Conformation Generation in SE(3)-invariant Space. Search on Bibsonomy CoRR The full citation details ... 2023 DBLP  DOI  BibTeX  RDF
18Haotian Zhang, Jintu Zhang, Huifeng Zhao, Dejun Jiang 0002, Yafeng Deng Infinite Physical Monkey: Do Deep Learning Methods Really Perform Better in Conformation Generation? Search on Bibsonomy CoRR The full citation details ... 2023 DBLP  DOI  BibTeX  RDF
18Jiamin Wu, He Cao, Yuan Yao 0011 Leveraging Side Information for Ligand Conformation Generation using Diffusion-Based Approaches. Search on Bibsonomy CoRR The full citation details ... 2023 DBLP  DOI  BibTeX  RDF
18Alexandra Volokhova, Michal Koziarski, Alex Hernández-García, Cheng-Hao Liu, Santiago Miret, Pablo Lemos, Luca A. Thiede, Zichao Yan, Alán Aspuru-Guzik, Yoshua Bengio Towards equilibrium molecular conformation generation with GFlowNets. Search on Bibsonomy CoRR The full citation details ... 2023 DBLP  DOI  BibTeX  RDF
18Gengmo Zhou, Zhifeng Gao, Zhewei Wei, Hang Zheng, Guolin Ke Do Deep Learning Methods Really Perform Better in Molecular Conformation Generation? Search on Bibsonomy CoRR The full citation details ... 2023 DBLP  DOI  BibTeX  RDF
18Florian Becker, Katharina Rauthmann, Lutz Pauli, Philipp Knechtges An Eigenvalue-Free Implementation of the Log-Conformation Formulation. Search on Bibsonomy CoRR The full citation details ... 2023 DBLP  DOI  BibTeX  RDF
18Zihan Zhou, Ruiying Liu, Chaolong Ying, Ruimao Zhang, Tianshu Yu Molecular Conformation Generation via Shifting Scores. Search on Bibsonomy CoRR The full citation details ... 2023 DBLP  DOI  BibTeX  RDF
18Jayanth Jeevanandam, Esackimuthu Paramasivam, Nambiappan T. Saraswathi Glycation restrains open-closed conformation of Insulin. Search on Bibsonomy Comput. Biol. Chem. The full citation details ... 2023 DBLP  DOI  BibTeX  RDF
18Yulong Shi, Xinben Zhang, Yanqing Yang, Tingting Cai, Cheng Peng, Leyun Wu, Liping Zhou, Jiaxin Han, Minfei Ma, Weiliang Zhu, Zhijian Xu D3CARP: a comprehensive platform with multiple-conformation based docking, ligand similarity search and deep learning approaches for target prediction and virtual screening. Search on Bibsonomy Comput. Biol. Medicine The full citation details ... 2023 DBLP  DOI  BibTeX  RDF
18Zimei Zhang, Gang Wang, Rui Li, Lin Ni, Runze Zhang, Kaiyang Cheng, Qun Ren, Xiangtai Kong, Shengkun Ni, Xiaochu Tong, Li Luo, Dingyan Wang, Xiaojie Lu, Mingyue Zheng, Xutong Li Tora3D: an autoregressive torsion angle prediction model for molecular 3D conformation generation. Search on Bibsonomy J. Cheminformatics The full citation details ... 2023 DBLP  DOI  BibTeX  RDF
18Jorge A. Jimenez-Gari, Mario Pupo-Meriño, Héctor R. Gonzalez, Francesc J. Ferri Multi-conformation Aproach of ENM-NMA Dynamic-Based Descriptors for HIV Drug Resistance Prediction. Search on Bibsonomy CIARP The full citation details ... 2023 DBLP  DOI  BibTeX  RDF
18Deqin Liu, Sheng Chen, Shuangjia Zheng, Sen Zhang, Yuedong Yang SE(3) Equivalent Graph Attention Network as an Energy-Based Model for Protein Side Chain Conformation. Search on Bibsonomy BIBM The full citation details ... 2023 DBLP  DOI  BibTeX  RDF
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