|
|
Venues (Conferences, Journals, ...)
|
|
GrowBag graphs for keyword ? (Num. hits/coverage)
Group by:
The graphs summarize 168 occurrences of 124 keywords
|
|
|
Results
Found 504 publication records. Showing 504 according to the selection in the facets
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 |
|
Displaying result #1 - #100 of 504 (100 per page; Change: ) Pages: [ 1][ 2][ 3][ 4][ 5][ 6][ >>] |
|