Search Result "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
Comparison of performance of docking, LIE, metadynamics and QSAR in predicting binding affinity of benzenesulfonamides
Journal: Current Computer-Aided Drug Design
Volume: 11 Issue: 3 Year: 2015 Page: 237-244
Author(s): Vytautas RaÅ¡keviÄius,Visvaldas Kairys
High Temperature Unfolding Simulations of a Single-stranded DNA i-Motif
Journal: Current Physical Chemistry
Volume: 2 Issue: 1 Year: 2012 Page: 115-123
Author(s): Jens Smiatek, Dongsheng Liu, Andreas Heuer
Kinetics of Ligand Binding Through Advanced Computational Approaches: A Review
Journal: Current Topics in Medicinal Chemistry
Volume: 17 Issue: 23 Year: 2017 Page: 2626-2641
Author(s): Alex Dickson,Pratyush Tiwary,Harish Vashisth
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
Computer-Aided Drug Discovery (CADD) Approaches for the Management of Neuropathic Pain
Journal: Current Topics in Medicinal Chemistry
Volume: 21 Issue: 32 Year: 2021 Page: 2856-2868
Author(s): Muthusamy Ramesh,Arunachalam Muthuraman
Decoding Corticotropin-Releasing Factor Receptor Type 1 Crystal Structures
Journal: Current Molecular Pharmacology
Volume: 10 Issue: 4 Year: 2017 Page: 334-344
Author(s): Andrew S. Dore,Andrea Bortolato,Kaspar Hollenstein,Robert K.Y. Cheng,Randy J. Read,Fiona H. Marshall
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
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