Search Result "replica-exchange MD (REMD)"
Recent Applications of Replica-Exchange Molecular Dynamics Simulations of Biomolecules
Journal: Current Physical Chemistry
Volume: 2 Issue: 4 Year: 2012 Page: 401-412
Author(s): Yuji Sugita,Naoyuki Miyashita,Pai-Chi Li,Takao Yoda,Yuko Okamoto
Solution NMR Studies of Aβ Monomer Dynamics
Journal: Protein & Peptide Letters
Volume: 18 Issue: 4 Year: 2011 Page: 354-361
Author(s): Chunyu Wang
Generalized-Ensemble Algorithms for Protein Folding and Unfolding
Journal: Current Physical Chemistry
Volume: 2 Issue: 1 Year: 2012 Page: 92-106
Author(s): Yuko Okamoto
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
Molecular Mechanism of Tau Misfolding and Aggregation: Insightsfrom Molecular Dynamics Simulation
Journal: Current Medicinal Chemistry
Volume: 31 Issue: 20 Year: 2024 Page: 2855-2871
Author(s):
Insights into Aβ Aggregation: A Molecular Dynamics Perspective
Journal: Current Topics in Medicinal Chemistry
Volume: 12 Issue: 2 Year: 2012 Page: 2596-2610
Author(s): Joan-Emma Shea, Brigita Urbanc
A Computational Study of the Structure and Dynamics of the E. coli Transcription Factor RfaH
Journal: Current Biotechnology
Volume: 4 Issue: 1 Year: 2015 Page: 26-38
Author(s): Anna Kahler,Anselm H.C. Horn,Heinrich Sticht
Malleability and Versatility of Cytochrome P450 Active Sites Studied by Molecular Simulations
Journal: Current Drug Metabolism
Volume: 13 Issue: 2 Year: 2012 Page: 190-196
Author(s): Chris Oostenbrink, Anita de Ruiter, Jozef Hritz, Nico Vermeulen
Role of the Region 23-28 in Aβ Fibril Formation: Insights from Simulations of the Monomers and Dimers of Alzheimers Peptides Aβ40 and Aβ42
Journal: Current Alzheimer Research
Volume: 5 Issue: 3 Year: 2008 Page: 244-250
Author(s): Adrien Melquiond, Xiao Dong, Normand Mousseau, Philippe Derreumaux
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