Search results for "conformations"

Hits ?▲	Authors	Title	Venue	Year	Link	Author keywords
86	Ioannis Z. Emiris, Bernard Mourrain	Computer Algebra Methods for Studying and Computing Molecular Conformations.	Algorithmica	1999	DBLP DOI BibTeX RDF	Structure-based design, Geometric and kinematic constraints, Equation solving, Computer algebra, Molecular conformations
82	Yaohang Li	A Population-Based Approach for Diversified Protein Loop Structure Sampling.	ICCS (1)	2009	DBLP DOI BibTeX RDF
82	Ivelin 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.	RECOMB	2006	DBLP DOI BibTeX RDF
68	Tamjidul Hoque, Madhu Chetty, Andrew Lewis, Abdul Sattar 0001	DFS Based Partial Pathways in GA for Protein Structure Prediction.	PRIB	2008	DBLP DOI BibTeX RDF	genetic algorithm, protein structure prediction, Depth-first search, lattice model
67	Gordon M. Crippen	Protein folding potential functions.	HICSS (5)	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
55	Peggy 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.	IEEE ACM Trans. Comput. Biol. Bioinform.	2008	DBLP DOI BibTeX RDF	Robotics, Biology and genetics
55	Márcio Dorn, Osmar Norberto de Souza	CReF: a central-residue-fragment-based method for predicting approximate 3-D polypeptides structures.	SAC	2008	DBLP DOI BibTeX RDF	3-D protein structure prediction, CReF, ab initio, de novo, knowledge-based methods, scientific data bases
55	Xiangchao Gan, Leonidas Kapsokalivas, Andreas Alexander Albrecht, Kathleen Steinhöfel	A Symmetry-Free Subspace for Ab initioProtein Folding Simulations.	BIRD	2008	DBLP DOI BibTeX RDF
55	Rolf Backofen, Sebastian Will	Fast, Constraint-Based Threading of HP-Sequences to Hydrophobic Cores.	CP	2001	DBLP DOI BibTeX RDF
47	Fábio L. Custódio, Helio J. C. Barbosa, Laurent Emmanuel Dardenne	Genetic Algorithm for Finding Multiple Low Energy Conformations of Poly Alanine Sequences Under an Atomistic Protein Model.	BSB	2007	DBLP DOI BibTeX RDF	multiple minima, genetic algorithm, protein structure prediction
45	Susanne Beiersdörfer, Jürgen Hesser, Jens B. Schmitt, Reinhard Männer, Andreas Schulz, Jürgen Wolfrum	Search for native conformations of organic molecules by genetic algorithms.	EUROMICRO	1997	DBLP DOI BibTeX RDF	organic molecule native conformations, problem specific crossover operators, repair heuristics, fluorescent labeled nucleoside, oligopeptide, molecule structure adapted crossovers, global optimum, Met-Enkephaline, ECEPP2 force field, genetic algorithms, search, probability, island model, molecular configurations, structure prediction
41	Rajeswar R. Gattupalli, Angelo Lucia	Molecular conformation of n -alkanes using terrain/funneling methods.	J. Glob. Optim.	2009	DBLP DOI BibTeX RDF	Multi-scale global optimization, Terrain methods, Funneling methods, n-alkane molecular conformation, Fuel oils
41	Ankur Dhanik, Peggy Yao, Nathan Marz, Ryan Propper, Charles Kou, Guanfeng Liu 0001, Henry van den Bedem, Jean-Claude Latombe	Efficient Algorithms to Explore Conformation Spaces of Flexible Protein Loops.	WABI	2007	DBLP DOI BibTeX RDF
41	Seung-Yeon Kim, Julian Lee	Double Optimization for Design of Protein Energy Function.	ICIC (3)	2006	DBLP DOI BibTeX RDF
41	Jiyuan An, Yi-Ping Phoebe Chen	A Similarity Search Algorithm to Predict Protein Structures.	KES (2)	2006	DBLP DOI BibTeX RDF
41	Tamjidul Hoque, Madhu Chetty, Laurence Dooley	A new guided genetic algorithm for 2D hydrophobic-hydrophilic model to predict protein folding.	Congress on Evolutionary Computation	2005	DBLP DOI BibTeX RDF
41	Rolf Backofen, Sebastian Will	A Constraint-Based Approach to Structure Prediction for Simplified Protein Models That Outperforms Other Existing Methods.	ICLP	2003	DBLP DOI BibTeX RDF
40	Thierry Guiard-Marigny, Nicolas Tsingos, Ali Adjoudani, Christian Benoît, Marie-Paule Gascuel	3D Models Of The Lips For Realistic Speech Animation.	CA	1996	DBLP DOI BibTeX RDF	audio-visual systems, realistic images, lip modelling, realistic speech animation, audio visual articulatory speech synthesizer, border contours, vermilion zone, lip shape, speaker dependent conformations, natural lips, French speaker, reference lip shapes, lip contact, natural languages, computer animation, 3D models, implicit surfaces, speech synthesis, volumetric model, continuous functions, human face, geometrical analysis, algebraic equations
40	Gordon M. Crippen	Intervals and the deduction of drug binding site models.	HICSS (5)	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
38	Amélie Héliou	Molecular conformations and game theory. (Conformations moléculaires et théorie des jeux).		2017	RDF
38	Primoz Pristovsek, Jurka Kidric, Dusan Hadzi	Bioactive Conformations of Small Peptides: A Method for Selection of Candidates Based on Conformations of Active and Inactive Analogs and Its Application to Muramyl Dipeptide.	J. Chem. Inf. Comput. Sci.	1995	DBLP DOI BibTeX RDF
33	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
33	Johannes Schmidt-Ehrenberg, Hans-Christian Hege	Visual Analysis of Molecular Conformations by Means of a Dynamic Density Mixture Model.	CompLife	2005	DBLP DOI BibTeX RDF
33	Issa Yavari, Arash Jabbari, Shahram Moradi	Conformations of 1, 2, 4, 6-Tetrathiepane.	ICCSA (2)	2004	DBLP DOI BibTeX RDF	Cyclic polysulfide, Stereochemistry, Conformational analysis, Ab initio calculations
33	Y. Zenmei Ohkubo, Gordon M. Crippen	Determining contact energy function for continuous state models of globular protein conformations.	RECOMB	2000	DBLP DOI BibTeX RDF
27	Kimberly 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.	J. Comput. Aided Mol. Des.	2009	DBLP DOI BibTeX RDF	?2 Adrenoceptor, Agonist, Virtual ligand screening, GPCR, MMFF, Homology model, G-protein coupled receptor
27	Peng 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.	J. Comput. Aided Mol. Des.	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
27	Antonio Mucherino, Leo Liberti, Carlile Lavor, Nelson Maculan	Comparisons between an exact and a metaheuristic algorithm for the molecular distance geometry problem.	GECCO	2009	DBLP DOI BibTeX RDF	branch and prune, monkey search, protein molecules, combinatorial optimization, distance geometry
27	Diego Rother, Guillermo Sapiro, Vijay Pande	Statistical Characterization of Protein Ensembles.	IEEE ACM Trans. Comput. Biol. Bioinform.	2008	DBLP DOI BibTeX RDF	protein ensembles, Bayesian networks, graphical models, bootstrapping, maximum likelihood, density estimation, cross-validation
27	Gouchol Pok, Keun Ho Ryu	Co-Occurring Patterns of Amino Acid Physicochemical Properties in Proteins.	WAIM	2008	DBLP DOI BibTeX RDF
27	Angelo Marcello Anile, Vincenzo Cutello, Giuseppe Narzisi, Giuseppe Nicosia, Salvatore Spinella	Determination of protein structure and dynamics combining immune algorithms and pattern search methods.	Nat. Comput.	2007	DBLP DOI BibTeX RDF	pattern search methods, DIRECT, protein folding, protein structure prediction, Immune Algorithms, Clonal Selection Algorithms, structural bioinformatics
27	Vladimir N. Uversky, Christopher J. Oldfield, A. Keith Dunker	Intrinsically Disordered Proteins in Human Diseases.	BIBE	2007	DBLP DOI BibTeX RDF
27	Xin Zhou, Yi Jiang	A General Long-Time Molecular Dynamics Scheme in Atomistic Systems: Hyperdynamics in Entropy Dominated Systems.	International Conference on Computational Science (1)	2007	DBLP DOI BibTeX RDF
27	Shawna L. Thomas, Xinyu Tang, Lydia Tapia, Nancy M. Amato	Simulating Protein Motions with Rigidity Analysis.	RECOMB	2006	DBLP DOI BibTeX RDF
27	Chong Wang, Antje Krause, Chris D. Nugent, Werner Dubitzky	Markov Modeling of Conformational Kinetics of Cardiac Ion Channel Proteins.	ISBMDA	2006	DBLP DOI BibTeX RDF	time constant, Markov model, mutation, conformation, ion channel
27	Bo-Fu Liu, Hung-Ming Chen, Hui-Ling Huang, Shiow-Fen Hwang, Shinn-Ying Ho	Flexible protein-ligand docking using particle swarm optimization.	Congress on Evolutionary Computation	2005	DBLP DOI BibTeX RDF
27	Jinn-Moon Yang	An Evolutionary Approach for Molecular Docking.	GECCO	2003	DBLP DOI BibTeX RDF
27	Miguel L. Teodoro, George N. Phillips, Lydia E. Kavraki	A dimensionality reduction approach to modeling protein flexibility.	RECOMB	2002	DBLP DOI BibTeX RDF
27	Angela Enosh, Klara Kedem, Joel Bernstein	Determining Similarity of Conformational Polymorphs.	ESA	2002	DBLP DOI BibTeX RDF
27	Osamu Maruyama, Takayoshi Shoudai, Emiko Furuichi, Satoru Kuhara, Satoru Miyano	Learning Conformation Rules.	Discovery Science	2001	DBLP DOI BibTeX RDF
27	Rolf Backofen, Sebastian Will	Optimally Compact Finite Sphere Packings - Hydrophobic Cores in the FCC.	CPM	2001	DBLP DOI BibTeX RDF
27	Martin T. Swain, Graham J. L. Kemp	A CLP Approach to the Protein Side-Chain Placement Problem.	CP	2001	DBLP DOI BibTeX RDF
27	Rolf Backofen	An Upper Bound for Number of Contacts in the HP-Model on the Face-Centered-Cubic Lattice (FCC).	CPM	2000	DBLP DOI BibTeX RDF
27	Steffen Schulze-Kremer	Genetic Algorithms for Protein Tertiary Structure Prediction.	ECML	1993	DBLP DOI BibTeX RDF	protein tertiary structure, ab initio prediction, genetic algorithm
26	Eli Hershkovitz, Guillermo Sapiro, Allen R. Tannenbaum, Loren Dean Williams	Statistical Analysis of RNA Backbone.	IEEE ACM Trans. Comput. Biol. Bioinform.	2006	DBLP DOI BibTeX RDF	RNA backbone, local conformations, torsion angles, conformational motifs, statistical analysis, vector quantization
26	Anthony J. Duben	Conformational statistics of the nitrogen linkage in glycopeptides using umbrella sampling.	SAC	1996	DBLP DOI BibTeX RDF	glycopeptides, umbrella sampling, Monte Carlo methods, conformations
26	Anthony J. Duben	Conformational statistics of models for serine- and threonine-linked glycopeptides using umbrella sampling.	SAC	1995	DBLP DOI BibTeX RDF	glycopeptides, umbrella sampling, Monte Carlo methods, conformations
19	Trent E. Balius, Y. Stanley Tan, Mayukh Chakrabarti	DOCK 6: Incorporating hierarchical traversal through precomputed ligand conformations to enable large-scale docking.	J. Comput. Chem.	2024	DBLP DOI BibTeX RDF
19	Tengyu Xie, Jing Huang 0004	Can Protein Structure Prediction Methods Capture Alternative Conformations of Membrane Transporters?	J. Chem. Inf. Model.	2024	DBLP DOI BibTeX RDF
19	Luis J. Walter, Patrick K. Quoika, Martin Zacharias	Structure-Based Protein Assembly Simulations Including Various Binding Sites and Conformations.	J. Chem. Inf. Model.	2024	DBLP DOI BibTeX RDF
19	Lu Zhang, Haiyan Liu	Exploring binding positions and backbone conformations of peptide ligands of proteins with a backbone-centred statistical energy function.	J. Comput. Aided Mol. Des.	2023	DBLP DOI BibTeX RDF
19	Fengjuan Huang, Xinjie Fan, Ying Wang, Chuang Wang, Yu Zou, Jiangfang Lian, Feng Ding 0002, Yunxiang Sun	Unveiling Medin Folding and Dimerization Dynamics and Conformations via Atomistic Discrete Molecular Dynamics Simulations.	J. Chem. Inf. Model.	2023	DBLP DOI BibTeX RDF
19	Shide Liang, Chi Zhang, Mingfu Zhu	Ab Initio Prediction of 3-D Conformations for Protein Long Loops with High Accuracy and Applications to Antibody CDRH3 Modeling.	J. Chem. Inf. Model.	2023	DBLP DOI BibTeX RDF
19	Lulu Zheng, Bin Zhu, Zengrui Wu, Mei Guo, Jinyao Chen, Minghuang Hong, Guixia Liu, Weihua Li 0005, Guobin Ren, Yun Tang 0001	Pharmaceutical Cocrystal Discovery via 3D-SMINBR: A New Network Recommendation Tool Augmented by 3D Molecular Conformations.	J. Chem. Inf. Model.	2023	DBLP DOI BibTeX RDF
19	Fengyang Han, Dongxiao Hao, Xibing He, Luxuan Wang, Taoyu Niu, Junmei Wang	Distribution of Bound Conformations in Conformational Ensembles for X-ray Ligands Predicted by the ANI-2X Machine Learning Potential.	J. Chem. Inf. Model.	2023	DBLP DOI BibTeX RDF
19	Rui Feng, Qi Zhu, Huan Tran, Binghong Chen, Aubrey Toland, Rampi Ramprasad, Chao Zhang	May the Force be with You: Unified Force-Centric Pre-Training for 3D Molecular Conformations.	CoRR	2023	DBLP DOI BibTeX RDF
19	Lihang Liu, Donglong He, Xianbin Ye, Shanzhuo Zhang, Xiaonan Zhang, Jingbo Zhou, Jun Li, Hua Chai, Fan Wang, Jingzhou He, Liang Zheng, Yonghui Li, Xiaomin Fang	Pre-Training on Large-Scale Generated Docking Conformations with HelixDock to Unlock the Potential of Protein-ligand Structure Prediction Models.	CoRR	2023	DBLP DOI BibTeX RDF
19	Benoit Baillif, Jason C. Cole, Ilenia Giangreco, Patrick McCabe, Andreas Bender 0002	Applying atomistic neural networks to bias conformer ensembles towards bioactive-like conformations.	J. Cheminformatics	2023	DBLP DOI BibTeX RDF
19	William Margerit, Antoine Charpentier, Cathy Maugis-Rabusseau, Johann Christian Schön, Nathalie Tarrat, Juan Cortés	IGLOO: An Iterative Global Exploration and Local Optimization Algorithm to Find Diverse Low-Energy Conformations of Flexible Molecules.	Algorithms	2023	DBLP DOI BibTeX RDF
19	Rui Feng, Qi Zhu, Huan Tran, Binghong Chen, Aubrey Toland, Rampi Ramprasad, Chao Zhang	May the Force be with You: Unified Force-Centric Pre-Training for 3D Molecular Conformations.	NeurIPS	2023	DBLP BibTeX RDF
19	Sergey A. Katsyuba, Tatiana P. Gerasimova, Sebastian Spicher, Fabian Bohle, Stefan Grimme	Computer-aided simulation of infrared spectra of ethanol conformations in gas, liquid and in CCl4 solution.	J. Comput. Chem.	2022	DBLP DOI BibTeX RDF
19	Yuqing Xiong, Juan Zeng, Fei Xia, Qiang Cui, Xianming Deng, Xin Xu 0004	Conformations and binding pockets of HRas and its guanine nucleotide exchange factors complexes in the guanosine triphosphate exchange process.	J. Comput. Chem.	2022	DBLP DOI BibTeX RDF
19	Prabir Khatua, Madhulika Gupta, Sanjoy Bandyopadhyay	Exploring Heterogeneous Dynamical Environment around an Ensemble of Aβ42 Peptide Monomer Conformations.	J. Chem. Inf. Model.	2022	DBLP DOI BibTeX RDF
19	Dhanushka Weerakoon, Rodrigo J. Carbajo, Leonardo De Maria, Christian Tyrchan, Hongtao Zhao	Impact of PROTAC Linker Plasticity on the Solution Conformations and Dissociation of the Ternary Complex.	J. Chem. Inf. Model.	2022	DBLP DOI BibTeX RDF
19	Amr H. Mahmoud, Matthew Masters, Soo Jung Lee, Markus A. Lill	Accurate Sampling of Macromolecular Conformations Using Adaptive Deep Learning and Coarse-Grained Representation.	J. Chem. Inf. Model.	2022	DBLP DOI BibTeX RDF
19	Amélie Barozet, Kevin Molloy, Marc Vaisset, Christophe Zanon, Pierre Fauret, Thierry Siméon, Juan Cortés	MoMA-LoopSampler: a web server to exhaustively sample protein loop conformations.	Bioinform.	2022	DBLP DOI BibTeX RDF
19	Yasser Mohseni Behbahani, Simon Crouzet, Elodie Laine, Alessandra Carbone	Deep Local Analysis evaluates protein docking conformations with locally oriented cubes.	Bioinform.	2022	DBLP DOI BibTeX RDF
19	Wujie Wang, Minkai Xu, Chen Cai, Benjamin Kurt Miller, Tess E. Smidt, Yusu Wang 0001, Jian Tang 0005, Rafael Gómez-Bombarelli	Generative Coarse-Graining of Molecular Conformations.	CoRR	2022	DBLP BibTeX RDF
19	Vigneshwaran Kannan, Ramesh Anishetty, S. R. Hassan	Optimal transport technique to understand peptide conformations.	Comput. Biol. Chem.	2022	DBLP DOI BibTeX RDF
19	Ye Zhou, Amit Moscovich, Alberto Bartesaghi	Data-driven determination of number of discrete conformations in single-particle cryo-EM.	Comput. Methods Programs Biomed.	2022	DBLP DOI BibTeX RDF
19	Wujie Wang, Minkai Xu, Chen Cai, Benjamin Kurt Miller, Tess E. Smidt, Yusu Wang 0001, Jian Tang 0005, Rafael Gómez-Bombarelli	Generative Coarse-Graining of Molecular Conformations.	ICML	2022	DBLP BibTeX RDF
19	Chun Xie, Yingxin Hu, Kuiting Chen, Zhekun Chen, Linqiang Pan	Tuning Geometric Conformations of Curved DNA Structures by Controlling Positions of Nicks.	BIC-TA	2022	DBLP DOI BibTeX RDF
19	Gabriela Czibula, Carmina Codre, Mihai Teletin	AnomalP: An approach for detecting anomalous protein conformations using deep autoencoders.	Expert Syst. Appl.	2021	DBLP DOI BibTeX RDF
19	Azzam Alwan, Rémi Cogranne, Pierre Beauseroy, Edith Grall-Maës, Nicolas Belloy, Laurent Debelle, Stéphanie Baud, Manuel Dauchez, Sébastien Almagro	A Fully Automatic and Efficient Methodology for Peptide Activity Identification Using Their 3D Conformations.	IEEE Access	2021	DBLP DOI BibTeX RDF
19	Isak Johansson-Åkhe, Claudio Mirabello, Björn Wallner	InterPepRank: Assessment of Docked Peptide Conformations by a Deep Graph Network.	Frontiers Bioinform.	2021	DBLP DOI BibTeX RDF
19	Hugo Guterres, Sang-Jun Park, Wei Jiang, Wonpil Im	Ligand-Binding-Site Refinement to Generate Reliable Holo Protein Structure Conformations from Apo Structures.	J. Chem. Inf. Model.	2021	DBLP DOI BibTeX RDF
19	Flaviu S. Cipcigan, Paul Smith, Jason Crain, Anders Hogner, Leonardo De Maria, Antonio Llinàs, Ekaterina Ratkova	Membrane Permeability in Cyclic Peptides is Modulated by Core Conformations.	J. Chem. Inf. Model.	2021	DBLP DOI BibTeX RDF
19	Kiyoto Aramis Tanemura, Susanta Das, Kenneth M. Merz Jr.	AutoGraph: Autonomous Graph-Based Clustering of Small-Molecule Conformations.	J. Chem. Inf. Model.	2021	DBLP DOI BibTeX RDF
19	Oscar Méndez-Lucio, Mazen Ahmad, Ehecatl Antonio del Rio-Chanona, Jörg Kurt Wegner	A geometric deep learning approach to predict binding conformations of bioactive molecules.	Nat. Mach. Intell.	2021	DBLP DOI BibTeX RDF
19	Robin Winter, Frank Noé, Djork-Arné Clevert	Auto-Encoding Molecular Conformations.	CoRR	2021	DBLP BibTeX RDF
19	Rishal Aggarwal, Akash Gupta, U. Deva Priyakumar	APObind: A Dataset of Ligand Unbound Protein Conformations for Machine Learning Applications in De Novo Drug Design.	CoRR	2021	DBLP BibTeX RDF
19	Jingyu Zhu, Haoer Zhang, Lei Jia, Lijun Ma, Lei Xu, Yun Chen, Yanfei Cai, Huazhong Li, Gang Huang, Jian Jin	Discovery of potential inhibitors targeting the kinase domain of polynucleotide kinase/phosphatase (PNKP): Homology modeling, virtual screening based on multiple conformations, and molecular dynamics simulation.	Comput. Biol. Chem.	2021	DBLP DOI BibTeX RDF
19	Szilárd Zsolt Fazekas, Hwee Kim, Ryuichi Matsuoka, Reoto Morita, Shinnosuke Seki	Linear Bounds on the Size of Conformations in Greedy Deterministic Oritatami.	Int. J. Found. Comput. Sci.	2021	DBLP DOI BibTeX RDF
19	Muhammad I. Ismail, Hanan M. Ragab, Adnan A. Bekhit, Tamer M. Ibrahim	Targeting multiple conformations of SARS-CoV2 Papain-Like Protease for drug repositioning: An in-silico study.	Comput. Biol. Medicine	2021	DBLP DOI BibTeX RDF
19	Fan Jin, Frauke Gräter	How multisite phosphorylation impacts the conformations of intrinsically disordered proteins.	PLoS Comput. Biol.	2021	DBLP DOI BibTeX RDF
19	Alexandra-Ioana Albu	Towards learning transferable embeddings for protein conformations using Variational Autoencoders.	KES	2021	DBLP DOI BibTeX RDF
19	Carlos Soto 0002, Audrey Dalgarno, Darshan W. Bryner, Benjamin McLaughlin, Nicola Neretti, Anuj Srivastava	Representation of Chromosome Conformations Using a Shape Alphabet Across Modeling Methods.	BIBM	2021	DBLP DOI BibTeX RDF
19	Shu-Yu Huang, Chi-Fon Chang, Jung-Hsin Lin, Thérèse E. Malliavin	Exploration of Conformations for an Intrinsically Disordered Protein.	GSI (2)	2021	DBLP DOI BibTeX RDF
19	Alena Randáková, Dominik Nelic, Vladimír Dolezal, Esam E. El-Fakahany, John Boulos, Jan Jakubik	Agonist-Specific Conformations of the M2 Muscarinic Acetylcholine Receptor Assessed by Molecular Dynamics.	J. Chem. Inf. Model.	2020	DBLP DOI BibTeX RDF
19	Simon Axelrod, Rafael Gómez-Bombarelli	GEOM: Energy-annotated molecular conformations for property prediction and molecular generation.	CoRR	2020	DBLP BibTeX RDF
19	Yilun Du, Joshua Meier, Jerry Ma, Rob Fergus, Alexander Rives	Energy-based models for atomic-resolution protein conformations.	CoRR	2020	DBLP BibTeX RDF
19	Esteban López-Camacho, María Jesús García-Godoy, José García-Nieto, Antonio J. Nebro, José Francisco Aldana Montes	Optimizing ligand conformations in flexible protein targets: a multi-objective strategy.	Soft Comput.	2020	DBLP DOI BibTeX RDF
19	Farideh Halakou, Attila Gürsoy, Ozlem Keskin	Embedding Alternative Conformations of Proteins in Protein-Protein Interaction Networks.	Protein-Protein Interaction Networks	2020	DBLP DOI BibTeX RDF
19	Xiaorong Liu, Jianhan Chen	Modulation of p53 Transactivation Domain Conformations by Ligand Binding and Cancer-AssociatedMutations.	PSB	2020	DBLP BibTeX RDF
19	Harshit Gupta, Thong H. Phan, Jaejun Yoo, Michael Unser	Multi-CryoGAN: Reconstruction of Continuous Conformations in Cryo-EM Using Generative Adversarial Networks.	ECCV Workshops (1)	2020	DBLP DOI BibTeX RDF
19	Yilun Du, Joshua Meier, Jerry Ma, Rob Fergus, Alexander Rives	Energy-based models for atomic-resolution protein conformations.	ICLR	2020	DBLP BibTeX RDF
19	Bhumika Arora	Refinement of G protein-coupled receptor structure models: Improving the prediction of loop conformations and the virtual ligand screening performances.	BCB	2020	DBLP DOI BibTeX RDF
19	Farideh Halakou	Enriching protein-protein interaction networks with alternative conformations and accelerated filtering of dissimilar interfaces (Protein-protein etkileşim ağlarının alternatif konformasyonlarla zenginleştirilmesi ve farklı arayüzlerin hızlandırılmış filtrelemesi)		2020	RDF
19	Nils-Ole Friedrich	Development and Validation of Algorithms for the Generation of Conformer Ensembles Representing Protein-Bound Ligand Conformations		2020	RDF
19	José A. Sáez, Emilio Corchado	A Meta-Learning Recommendation System for Characterizing Unsupervised Problems: On Using Quality Indices to Describe Data Conformations.	IEEE Access	2019	DBLP DOI BibTeX RDF