Search Result "Grand canonical ensemble"
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
Boltzmann Entropy & Equilibrium in Non-Isolated Systems
Ebook: An Account of Thermodynamic Entropy
Volume: 1 Year: 2017
Author(s): Alberto Gianinetti
Doi: 10.2174/9781681083933117010012
The Fundamentals of Molecular Simulations
Ebook: A Journey Through Water: A Scientific Exploration of The Most Anomalous Liquid on Earth
Volume: 1 Year: 2017
Author(s): Jestin Baby Mandumpal
Doi: 10.2174/9781681084237117010006
Molecular Dynamics Simulation of MNT
Ebook: Micro and Nanomachining Technology-Size, Model and Complex Mechanism
Volume: 1 Year: 2014
Author(s): Xuesong Han
Doi: 10.2174/9781608057696114010005
Assessment of Glycoproteins Dynamics from Computer Simulations
Journal: Mini-Reviews in Organic Chemistry
Volume: 8 Issue: 3 Year: 2011 Page: 229-238
Author(s): Laercio Pol-Fachin, Hugo Verli
Drug Design Benefits from Molecular Dynamics: Some Examples
Journal: Current Computer-Aided Drug Design
Volume: 9 Issue: 4 Year: 2013 Page: 532-546
Author(s): Ji-Long Zhang,Qing-Chuan Zheng,Wen-Ting Chu,Hong-Xing Zhang
Changes of Entropy: The Fundamental Equation and the Chemical Potential
Ebook: An Account of Thermodynamic Entropy
Volume: 1 Year: 2017
Author(s): Alberto Gianinetti
Doi: 10.2174/9781681083933117010017
Outlines of a Verbal Account of the Thermodynamic Entropy for a Pedagogical Approach
Ebook: An Account of Thermodynamic Entropy
Volume: 1 Year: 2017
Author(s): Alberto Gianinetti
Doi: 10.2174/9781681083933117010023
Current State-of-the-art for Virtual Screening and Docking Methods
Ebook: New Developments in Medicinal Chemistry
Volume: 2 Year: 2014
Author(s): Carlton Anthony Taft,Carlos Henrique Tomich de Paula da Silva
Doi: 10.2174/9781608059546114020004
Advances in the Treatment of Explicit Water Molecules in Docking and Binding Free Energy Calculations
Journal: Current Medicinal Chemistry
Volume: 26 Issue: 42 Year: 2019 Page: 7598-7622
Author(s): Xiao Hu,Irene Maffucci,Alessandro Contini