Search Result "Bias-exchange metadynamics"
Protein Folding and Ligand-Enzyme Binding from Bias-Exchange Metadynamics Simulations
Journal: Current Physical Chemistry
Volume: 2 Issue: 1 Year: 2012 Page: 79-91
Author(s): Fahimeh Baftizadeh, Pilar Cossio, Fabio Pietrucci, Alessandro Laio
Physical Insights into Permeation of and Resistance to Antibiotics in Bacteria
Journal: Current Drug Targets
Volume: 9 Issue: 9 Year: 2008 Page: 779-788
Author(s): Matteo Ceccarelli, Paolo Ruggerone
New Insights in Protein Kinase Conformational Dynamics
Journal: Current Topics in Medicinal Chemistry
Volume: 12 Issue: 17 Year: 2012 Page: 1889-1895
Author(s): Giorgio Saladino,Francesco Luigi Gervasio
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
Editorial [Hot Topic: Protein Folding Dynamics (Guest Editor: Dr. Ruhong Zhou)]
Journal: Current Physical Chemistry
Volume: 2 Issue: 1 Year: 2012 Page: 2-3
Author(s): Ruhong Zhou
Protein Flexibility and Ligand Recognition: Challenges for Molecular Modeling
Journal: Current Topics in Medicinal Chemistry
Volume: 11 Issue: 2 Year: 2011 Page: 192-210
Author(s): Francesca Spyrakis, Axel BidonChanal, Xavier Barril, F. Javier Luque
Free Energy Estimation for Drug Discovery: Background and Perspectives
Ebook: Applied Computer-Aided Drug Design: Models and Methods
Volume: 1 Year: 2023
Author(s):
Doi: 10.2174/9789815179934123010011
Class A GPCRs: Structure, Function, Modeling and Structure-based Ligand Design
Journal: Current Pharmaceutical Design
Volume: 23 Issue: 29 Year: 2017 Page: 4390-4409
Author(s): Xiaojing Cong,Jeremie Topin,Jerome Golebiowski
The Conformational Free Energy of Carbohydrates
Journal: Mini-Reviews in Organic Chemistry
Volume: 8 Issue: 3 Year: 2011 Page: 256-262
Author(s): Michelle M. Kuttel
Current Stage and Future Perspectives for Homology Modeling,Molecular Dynamics Simulations, Machine Learning with MolecularDynamics, and Quantum Computing for Intrinsically Disordered Proteinsand Proteins with Intrinsically Disordered Regions
Journal: Current Protein & Peptide Science
Volume: 25 Issue: 2 Year: 2024 Page: 163-171
Author(s): Vladimir N. Uversky