Search Result "conformational ensemble model"
Artificial Neural Networks for Efficient Clustering of Conformational Ensembles and their Potential for Medicinal Chemistry
Journal: Current Topics in Medicinal Chemistry
Volume: 13 Issue: 5 Year: 2013 Page: 642-651
Author(s): Alessandro Pandini, Domenico Fraccalvieri, Laura Bonati
Protonation States and Conformational Ensemble in Ligand-based QSAR Modeling
Journal: Current Pharmaceutical Design
Volume: 19 Issue: 2 Year: 2013 Page: 4323-4329
Author(s): Pier G. De Benedetti
Modeling Ensembles of Loop Conformations by Iterative Stochastic Elimination
Journal: Letters in Drug Design & Discovery
Volume: 13 Issue: 7 Year: 2016 Page: 646-651
Author(s): Amit Michaeli, Anwar Rayan
Insights into the Conformational Ensemble of Human Islet Amyloid Polypeptide from Molecular Simulations
Journal: Current Pharmaceutical Design
Volume: 22 Issue: 23 Year: 2016 Page: 3601-3607
Author(s): Linh Tran,Tap Ha-Duong
Emerging Methods for Ensemble-Based Virtual Screening
Journal: Current Topics in Medicinal Chemistry
Volume: 10 Issue: 1 Year: 2010 Page: 3-13
Author(s): Rommie E. Amaro, Wilfred W. Li
Probing Dynamic Protein Ensembles with Atomic Proximity Measures
Journal: Current Protein & Peptide Science
Volume: 11 Issue: 7 Year: 2010 Page: 515-522
Author(s): Zoltan Gaspari, Annamaria F. Angyan, Somdutta Dhir, Dino Franklin, Andras Perczel, Alessandro Pintar, Sandor Pongor
Conformational Sampling and Energetics of Drug-Like Molecules
Journal: Current Medicinal Chemistry
Volume: 16 Issue: 2 Year: 2009 Page: 3381-3413
Author(s): Nicolas Foloppe, I-Jen Chen
Role of Ensemble Conformational Sampling Using Molecular Docking & Dynamics in Drug Discovery
Ebook: Frontiers in Computational Chemistry
Volume: 6 Year: 2022
Author(s):
Doi: 10.2174/9789815036848122060004
Conformational Sampling Techniques
Journal: Current Pharmaceutical Design
Volume: 20 Issue: 20 Year: 2014 Page: 3303-3313
Author(s): Marcus P. D. Hatfield,Sandor Lovas
Allosteric Coupling and Conformational Fluctuations in Proteins
Journal: Current Protein & Peptide Science
Volume: 10 Issue: 2 Year: 2009 Page: 110-115
Author(s): H. Ongun Onaran, Tommaso Costa