Search Result "free energyperturbation"
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
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
Free Energy of Ligand Binding to Protein: Evaluation of the Contribution of Water Molecules by Computational Methods
Journal: Current Medicinal Chemistry
Volume: 11 Issue: 2 Year: 2004 Page: 3093-3118
Author(s): Pietro Cozzini, Micaela Fornabaio, Anna Marabotti, Donald J. Abraham, Glen E. Kellogg, Andrea Mozzarelli
Computer Aided Drug Design Strategies Used in the Discovery of Fructose 1, 6-Bisphosphatase Inhibitors
Journal: Current Pharmaceutical Design
Volume: 11 Issue: 3 Year: 2005 Page: 283-294
Author(s): M. Rami Reddy, Mark D. Erion
Perspective on the Role of Quantum Mechanical Calculations on Cellular Molecular Interactions
Ebook: Frontiers in Computational Chemistry
Volume: 7 Year: 2024
Author(s):
Doi: 10.2174/9789815179033124070002
Computational Approaches in Evaluating the 5-HT Subtype Receptor Mechanism of Action for Developing Novel Chemical Entities
Ebook: Frontiers in Computational Chemistry
Volume: 7 Year: 2024
Author(s):
Doi: 10.2174/9789815179033124070003
Computational Approaches to Model Ligand Selectivity in Drug Design
Journal: Current Topics in Medicinal Chemistry
Volume: 6 Issue: 1 Year: 2006 Page: 41-55
Author(s): Angel R. Ortiz, Paulino Gomez-Puertas, Alejandra Leo-Macias, Pedro Lopez-Romero, Eduardo Lopez-Vinas, Antonio Morreale, Marta Murcia, Kun Wang
Molecular Simulation in Drug Design: An Overview of Molecular Dynamics Methods
Ebook: Applied Computer-Aided Drug Design: Models and Methods
Volume: 1 Year: 2023
Author(s):
Doi: 10.2174/9789815179934123010009
Complexity Management Principle
Ebook: Simplifying Complexity: Life is Uncertain, Unfair and Unequal
Volume: 1 Year: 2016
Author(s): Bruce J. West
Doi: 10.2174/9781681082172116010008
Computational and Synthetic Target-based Approaches to the Discovery of Novel Anticonvulsant Compounds
Journal: Current Medicinal Chemistry
Volume: 28 Issue: 33 Year: 2021 Page: 6866-6894
Author(s): Melisa Edith Gantner,Manuel Augusto Llanos,Federico Mariano Garofalo,MarÃa Luisa Villalba,Luciana Gavernet