Search Result "Hamiltonian replica-exchange method"
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
Drug Design by Generalized-Ensemble Simulations
Journal: Current Pharmaceutical Design
Volume: 17 Issue: 1 Year: 2011 Page: 1758-1772
Author(s): Yuko Okamoto
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
Methods for Calculating the Entropy and Free Energy of Biological Systems
Ebook: Advances in Protein and Peptide Sciences
Volume: 1 Year: 2013
Author(s): Hagai Meirovitch
Doi: 10.2174/9781608054879113010013
Current State-of-the-art for Quantum Mechanics-based Methods in Drug Design
Ebook: New Developments in Medicinal Chemistry
Volume: 1 Year: 2010
Author(s): Carlton Anthony Taft,Carlos Henrique Tomich de Paula da Silva
Doi: 10.2174/978160805127411001010001
A Novel Coarse-Grained Description of Protein Structure and Folding by UNRES Force Field and Discrete Nonlinear Schrödinger Equation
Ebook: Frontiers in Computational Chemistry
Volume: 1 Year: 2015
Author(s): Adam Liwo,Antti Niemi,Xubiao Peng,Adam K. Sieradzan
Doi: 10.2174/9781608058648115010009
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
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 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
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