Search results for "Conformation"

Hits ?▲	Authors	Title	Venue	Year	Link	Author keywords
96	Osamu Maruyama, Takayoshi Shoudai, Emiko Furuichi, Satoru Kuhara, Satoru Miyano	Learning Conformation Rules.	Discovery Science	2001	DBLP DOI BibTeX RDF
93	Xiangyang Ju, Zhili Mao, J. Paul Siebert, Nigel J. B. McFarlane, Jiahua Wu, Robin D. Tillett	Applying Mesh Conformation on Shape Analysis with Missing Data.	3DPVT	2004	DBLP DOI BibTeX RDF	dense 3D correspondence, 3D shape analysis, missing data, conformation
90	L. Strub, J. Robinson	Automated facial conformation for model-based videophone coding.	ICIP	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
67	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
67	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
65	Xiangchao Gan, Leonidas Kapsokalivas, Andreas Alexander Albrecht, Kathleen Steinhöfel	A Symmetry-Free Subspace for Ab initioProtein Folding Simulations.	BIRD	2008	DBLP DOI BibTeX RDF
62	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
54	Ket Fah Chong, Hon Wai Leong	An extension of dead end elimination for protein side-chain conformation using merge-decoupling.	SAC	2006	DBLP DOI BibTeX RDF	protein side chain conformation, algorithm
52	Lech Znamirowski	Non-gradient, Sequential Algorithm for Simulation of Nascent Polypeptide Folding.	International Conference on Computational Science (1)	2005	DBLP DOI BibTeX RDF
52	Alessandro Dal Palù, Agostino Dovier, Federico Fogolari	Protein Folding Simulation in CCP.	ICLP	2004	DBLP DOI BibTeX RDF
52	Karl-Heinz Zimmermann	A Special Purpose Array Processor Architecture for the Molecular Dynamics Simulation of Point-Mutated Proteins.	J. VLSI Signal Process.	2003	DBLP DOI BibTeX RDF	point mutation, penicillin amidase, parallel processing, molecular dynamics, protein, array processor
52	Y. Zenmei Ohkubo, Gordon M. Crippen	Determining contact energy function for continuous state models of globular protein conformations.	RECOMB	2000	DBLP DOI BibTeX RDF
50	Panos 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	Global Minimization of Nonconvex Energy Functions: Molecular Conformation and Protein Folding	1996	DBLP DOI BibTeX RDF
50	Andrew T. Phillips, J. Ben Rosen, Vann Howard Walke	Molecular structure determination by convex, global underestimation of local energy minima.	Global Minimization of Nonconvex Energy Functions: Molecular Conformation and Protein Folding	1995	DBLP DOI BibTeX RDF
50	Jorge J. Moré, Zhijun Wu	E-optimal solutions to distance geometry problems via global continuation.	Global Minimization of Nonconvex Energy Functions: Molecular Conformation and Protein Folding	1995	DBLP DOI BibTeX RDF
50	Jaroslaw Kostrowicki, Harold A. Scheraga	Some approaches to the multiple-minima problem in protein folding.	Global Minimization of Nonconvex Energy Functions: Molecular Conformation and Protein Folding	1995	DBLP DOI BibTeX RDF
50		Preface.	Global Minimization of Nonconvex Energy Functions: Molecular Conformation and Protein Folding	1995	DBLP BibTeX RDF
50	Xiche Hu, Dong Xu, Kenneth Hamer, Klaus Schulten, Juergen Koepke, Hartmut Michel	Knowledge based structure prediction of the light-harvesting complex II of Rhodospirillum molishianum.	Global Minimization of Nonconvex Energy Functions: Molecular Conformation and Protein Folding	1995	DBLP DOI BibTeX RDF
50	Andrej Sali, Eugene I. Shakhnovich, Martin Karplus	Thermodynamics and kinetics of protein folding.	Global Minimization of Nonconvex Energy Functions: Molecular Conformation and Protein Folding	1995	DBLP DOI BibTeX RDF
50	Herbert A. Hauptman	A minimal principle in the phase problem of X-ray crystallography.	Global Minimization of Nonconvex Energy Functions: Molecular Conformation and Protein Folding	1995	DBLP DOI BibTeX RDF
50	Ruth Pachter, Zhiqiang Wang, James A. Lupo, Steven B. Fairchild, Brian Sennett	The design of chromophore containing biomolecules.	Global Minimization of Nonconvex Energy Functions: Molecular Conformation and Protein Folding	1995	DBLP DOI BibTeX RDF
50	Richard H. Byrd, Elizabeth Eskow, André van der Hoek, Robert B. Schnabel, Chung-Shang Shao, Zhihong Zou	Global optimization methods for protein folding problems.	Global Minimization of Nonconvex Energy Functions: Molecular Conformation and Protein Folding	1995	DBLP DOI BibTeX RDF
50	Jun Gu, Bin Du	A multispace search algorithm for molecular energy minimization.	Global Minimization of Nonconvex Energy Functions: Molecular Conformation and Protein Folding	1995	DBLP DOI BibTeX RDF
50	Bruce W. Church, Matej Oresic, David Shalloway	Tracking metastable states to free-energy global minima.	Global Minimization of Nonconvex Energy Functions: Molecular Conformation and Protein Folding	1995	DBLP DOI BibTeX RDF
50	Costas D. Maranas, Ioannis P. Androulakis, Christodoulos A. Floudas	A deterministic global optimization approach for the protein folding problem.	Global Minimization of Nonconvex Energy Functions: Molecular Conformation and Protein Folding	1995	DBLP DOI BibTeX RDF
50	Robert E. Bruccoleri	Energy directed conformational search of protein loops and segments.	Global Minimization of Nonconvex Energy Functions: Molecular Conformation and Protein Folding	1995	DBLP DOI BibTeX RDF
50	Patricia Amara, Jianpeng Ma, John E. Straub	Global minimization on rugged energy landscapes.	Global Minimization of Nonconvex Energy Functions: Molecular Conformation and Protein Folding	1995	DBLP DOI BibTeX RDF
50		Foreword.	Global Minimization of Nonconvex Energy Functions: Molecular Conformation and Protein Folding	1995	DBLP BibTeX RDF
49	Hesham Awadh Abdallah Bahamish, Rosni Abdullah, Rosalina Abdul Salam	Protein Conformational Search Using Bees Algorithm.	Asia International Conference on Modelling and Simulation	2008	DBLP DOI BibTeX RDF	Bees Algorithm, Protein Conformation, Swarm Intelligence
49	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
41	David 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.	GECCO	2005	DBLP DOI BibTeX RDF	NP-hard search, bucky ball, spatial crossover, genetic algorithm, molecular conformation
39	Yaohang Li	A Population-Based Approach for Diversified Protein Loop Structure Sampling.	ICCS (1)	2009	DBLP DOI BibTeX RDF
39	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
39	Thang Nguyen Bui, Gnanasekaran Sundarraj	An efficient genetic algorithm for predicting protein tertiary structures in the 2D HP model.	GECCO	2005	DBLP DOI BibTeX RDF	2D HP model, protein folding problem, genetic algorithm
36	Simeon 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)		2016	RDF
36	Rasha 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).		2015	RDF
36	Hervé 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).		2013	RDF
36	S. S. Sheik, Prasanna Sundararajan, V. Shanthi, Krishna Sekar	CAP: Conformation Angles Package - Displaying the Conformation Angles of Side Chains in Proteins.	Bioinform.	2003	DBLP DOI BibTeX RDF
36	Andrea Grosso, Marco Locatelli 0001, Fabio Schoen	A Population-based Approach for Hard Global Optimization Problems based on Dissimilarity Measures.	Math. Program.	2007	DBLP DOI BibTeX RDF	Large scale global optimization, Multistart, Basin hopping, Population-based approaches, Molecular conformation problems
36	David M. Cherba, William F. Punch	Crossover gene selection by spatial location.	GECCO	2006	DBLP DOI BibTeX RDF	algorithm crossover, genetic algorithm, molecular conformation
36	Josep Carmona 0001, Jordi Cortadella	Input/Output Compatibility of Reactive Systems.	FMCAD	2002	DBLP DOI BibTeX RDF	Input/Output compatibility, Synchronous product, Petri nets, Reactive systems, Conformation, Observational equivalence, Trace theory
36	Zhirong Sun, Tom L. Blundell	The pattern of common supersecondary structure (motifs) in protein database.	HICSS (5)	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
31	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
31	Susanne 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.	PPSN	1996	DBLP DOI BibTeX RDF
26	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
26	Alan 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.	ICRA	2009	DBLP DOI BibTeX RDF
26	Hiroto Sakai, Yusuke Ogura, Jun Tanida	Positional State Representation and Its Transition Control for Photonic DNA Automaton.	DNA	2009	DBLP DOI BibTeX RDF
26	Alessandro Vullo, Andrea Passerini, Paolo Frasconi, Fabrizio Costa, Gianluca Pollastri	On the Convergence of Protein Structure and Dynamics. Statistical Learning Studies of Pseudo Folding Pathways.	EvoBIO	2008	DBLP DOI BibTeX RDF
26	Yi Pan 0001	Protein Structure Prediction and Its Understanding Based on Machine Learning Methods.	BIBE	2007	DBLP DOI BibTeX RDF
26	Jack Xiao-Dong Yang, Roderick V. N. Melnik	A New Constitutive Model for the Analysis of Semi-flexible Polymers with Internal Viscosity.	International Conference on Computational Science (1)	2007	DBLP DOI BibTeX RDF	Polymeric fluid, Dumbbell model, Internal viscosity
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	Ashwin Srinivasan 0001, David Page, Rui Camacho, Ross D. King	Quantitative pharmacophore models with inductive logic programming.	Mach. Learn.	2006	DBLP DOI BibTeX RDF	Pharmacophore models, ILP, Statistical relational learning
26	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
26	Vipin K. Tripathi, Bhaskar Dasgupta, Kalyanmoy Deb	A Computational Method for Viewing Molecular Interactions in Docking.	VIEW	2006	DBLP DOI BibTeX RDF
26	Jie Song 0010, Jiaxing Cheng, Tingting Zheng	Protein 3D HP model folding simulation based on ACO.	ISDA (1)	2006	DBLP DOI BibTeX RDF
26	Jiyuan An, Yi-Ping Phoebe Chen	A Similarity Search Algorithm to Predict Protein Structures.	KES (2)	2006	DBLP DOI BibTeX RDF
26	Amandeep S. Sidhu, Tharam S. Dillon, Elizabeth Chang 0001, Baldev S. Sidhu	Protein Ontology: Vocabulary for Protein Data.	ICITA (1)	2005	DBLP DOI BibTeX RDF	Protein Informatics, Biomedical Systems, Data Integration, Systems Biology, Biomedical Ontologies, Protein Ontology
26	Chun-lian Li, Yu Sun 0010, Dong-yun Long, Xi-cheng Wang	A Genetic Algorithm Based Method for Molecular Docking.	ICNC (2)	2005	DBLP DOI BibTeX RDF
26	Takashi Terashima, Hiroshi Shimanuki, Jien Kato, Toyohide Watanabe	Method for Representing 3-D Virtual Origami.	ICDAR	2005	DBLP DOI BibTeX RDF
26	Yi Pan 0001	Protein structure prediction and understanding using machine learning methods.	GrC	2005	DBLP DOI BibTeX RDF
26	Shaoming Yang, Xiuqin Chen, M. Hasegawa, Seiji Motojima	Conformations of Super-Elastic Carbon Micro/Nano-Springs and Their Properties.	ICMENS	2004	DBLP DOI BibTeX RDF
26	Holger Merlitz, Wolfgang Wenzel	High Throughput in-silico Screening against Flexible Protein Receptors.	ICCSA (3)	2004	DBLP DOI BibTeX RDF
26	Mehmet Serkan Apaydin, Douglas L. Brutlag, Carlos Guestrin, David Hsu, Jean-Claude Latombe	Stochastic roadmap simulation: an efficient representation and algorithm for analyzing molecular motion.	RECOMB	2002	DBLP DOI BibTeX RDF
26	Guang Song, Nancy M. Amato	Using motion planning to study protein folding pathways.	RECOMB	2001	DBLP DOI BibTeX RDF
26	Mitsuru 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.	ICPR	2000	DBLP DOI BibTeX RDF
26	Helio J. C. Barbosa, Fernanda M. P. Raupp, Carlile Lavor, H. Lima, Nelson Maculan	A Hybrid Genetic Algorithm for Finding Stable Conformations of Small Molecules.	SBRN	2000	DBLP DOI BibTeX RDF
26	John Atkins, William E. Hart	On the Intractability of Protein Folding with a Finite Alphabet of Amino Acids.	Algorithmica	1999	DBLP DOI BibTeX RDF	Protein folding, Protein structure prediction, Intractability
23	Richard S. Judson	Genetic Algorithms for Protein Structure Prediction.	Encyclopedia of Optimization	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
23	Leo Liberti, Carlile Lavor, Nelson Maculan, Fabrizio Marinelli 0001	Double variable neighbourhood search with smoothing for the molecular distance geometry problem.	J. Glob. Optim.	2009	DBLP DOI BibTeX RDF	Global continuation, Variable neighbourhood search, Global optimization, Smoothing, Distance geometry, Molecular conformation
23	Paulius Micikevicius, Narsingh Deo	Cluster Computing for Determining Three-Dimensional Protein Structure.	J. Supercomput.	2005	DBLP DOI BibTeX RDF	parallel algorithms, Beowulf cluster, molecular conformation
23	Klaus-Peter Zauner, Michael Conrad	Molecular approach to informal computing.	Soft Comput.	2001	DBLP DOI BibTeX RDF	Protein conformation, Malate dehydrogenase, Interpretation, Coding, Algorithmic complexity
18	Jiaxuan Li, Lei Wang, Zefeng Zhu, Chen Song	Exploring the Alternative Conformation of a Known Protein Structure Based on Contact Map Prediction.	J. Chem. Inf. Model.	2024	DBLP DOI BibTeX RDF
18	Hamza 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.	Bioinform.	2024	DBLP DOI BibTeX RDF
18	Jiarui Lu, Zuobai Zhang, Bozitao Zhong, Chence Shi, Jian Tang 0005	Fusing Neural and Physical: Augment Protein Conformation Sampling with Tractable Simulations.	CoRR	2024	DBLP DOI BibTeX RDF
18	Yan Wang, Lihao Wang, Yuning Shen, Yiqun Wang, Huizhuo Yuan, Yue Wu, Quanquan Gu	Protein Conformation Generation via Force-Guided SE(3) Diffusion Models.	CoRR	2024	DBLP DOI BibTeX RDF
18	Bobin Yang, Jie Deng, Zhenghan Chen, Ruoxue Wu	Diffusion-Driven Generative Framework for Molecular Conformation Prediction.	CoRR	2024	DBLP DOI BibTeX RDF
18	Angxiao Yue, Dixin Luo, Hongteng Xu	A Plug-and-Play Quaternion Message-Passing Module for Molecular Conformation Representation.	AAAI	2024	DBLP DOI BibTeX RDF
18	Kentaro 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.	J. Comput. Chem.	2023	DBLP DOI BibTeX RDF
18	Ahmed Bin Zaman, Toki Tahmid Inan, Kenneth A. De Jong, Amarda Shehu	Adaptive Stochastic Optimization to Improve Protein Conformation Sampling.	IEEE ACM Trans. Comput. Biol. Bioinform.	2023	DBLP DOI BibTeX RDF
18	Ge Song, Bozitao Zhong, Bo Zhang, Ashfaq Ur Rehman, Hai-Feng Chen	Phosphorylation Modification Force Field FB18CMAP Improving Conformation Sampling of Phosphoproteins.	J. Chem. Inf. Model.	2023	DBLP DOI BibTeX RDF
18	Inacrist Geronimo, Pietro Vidossich, Marco de Vivo	On the Role of Molecular Conformation of the 8-Oxoguanine Lesion in Damaged DNA Processing by Polymerases.	J. Chem. Inf. Model.	2023	DBLP DOI BibTeX RDF
18	Ching Ching Lam, Jonathan M. Goodman	CONFPASS: Fast DFT Re-Optimizations of Structures from Conformation Searches.	J. Chem. Inf. Model.	2023	DBLP DOI BibTeX RDF
18	Süleyman Selim Çinaroglu, Philip C. Biggin	Computed Protein-Protein Enthalpy Signatures as a Tool for Identifying Conformation Sampling Problems.	J. Chem. Inf. Model.	2023	DBLP DOI BibTeX RDF
18	Yang Jeong Park, Hyungi Kim, Jeonghee Jo, Sungroh Yoon	Deep contrastive learning of molecular conformation for efficient property prediction.	Nat. Comput. Sci.	2023	DBLP DOI BibTeX RDF
18	Xingang 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.	Nat. Mac. Intell.	2023	DBLP DOI BibTeX RDF
18	Jinguo 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.	Adv. Intell. Syst.	2023	DBLP DOI BibTeX RDF
18	Jinguo 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.	Adv. Intell. Syst.	2023	DBLP DOI BibTeX RDF
18	Kirk Swanson, Jake Lawrence Williams, Eric M. Jonas	Von Mises Mixture Distributions for Molecular Conformation Generation.	CoRR	2023	DBLP DOI BibTeX RDF
18		On Accelerating Diffusion-based Molecular Conformation Generation in SE(3)-invariant Space.	CoRR	2023	DBLP DOI BibTeX RDF
18	Haotian Zhang, Jintu Zhang, Huifeng Zhao, Dejun Jiang 0002, Yafeng Deng	Infinite Physical Monkey: Do Deep Learning Methods Really Perform Better in Conformation Generation?	CoRR	2023	DBLP DOI BibTeX RDF
18	Jiamin Wu, He Cao, Yuan Yao 0011	Leveraging Side Information for Ligand Conformation Generation using Diffusion-Based Approaches.	CoRR	2023	DBLP DOI BibTeX RDF
18	Alexandra 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.	CoRR	2023	DBLP DOI BibTeX RDF
18	Gengmo Zhou, Zhifeng Gao, Zhewei Wei, Hang Zheng, Guolin Ke	Do Deep Learning Methods Really Perform Better in Molecular Conformation Generation?	CoRR	2023	DBLP DOI BibTeX RDF
18	Florian Becker, Katharina Rauthmann, Lutz Pauli, Philipp Knechtges	An Eigenvalue-Free Implementation of the Log-Conformation Formulation.	CoRR	2023	DBLP DOI BibTeX RDF
18	Zihan Zhou, Ruiying Liu, Chaolong Ying, Ruimao Zhang, Tianshu Yu	Molecular Conformation Generation via Shifting Scores.	CoRR	2023	DBLP DOI BibTeX RDF
18	Jayanth Jeevanandam, Esackimuthu Paramasivam, Nambiappan T. Saraswathi	Glycation restrains open-closed conformation of Insulin.	Comput. Biol. Chem.	2023	DBLP DOI BibTeX RDF
18	Yulong 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.	Comput. Biol. Medicine	2023	DBLP DOI BibTeX RDF
18	Zimei 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.	J. Cheminformatics	2023	DBLP DOI BibTeX RDF
18	Jorge 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.	CIARP	2023	DBLP DOI BibTeX RDF
18	Deqin 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.	BIBM	2023	DBLP DOI BibTeX RDF