Search Result "Solvation energy"
Solvation Models: Theory and Validation
Journal: Current Pharmaceutical Design
Volume: 20 Issue: 20 Year: 2014 Page: 3266-3280
Author(s): Enrico O. Purisima,Traian Sulea
Tuning the Solvation Term in the MM-PBSA/GBSA Binding Affinity Predictions
Ebook: Frontiers in Computational Chemistry
Volume: 1 Year: 2015
Author(s): Irene Maffucci,Alessandro Contini
Doi: 10.2174/9781608058648115010005
Electrostatic Contribution to the Ion Solvation Energy: Over-screening Effect in the Nonlocal Dielectric Response of the Polar Medium
Journal: Current Physical Chemistry
Volume: 6 Issue: 2 Year: 2016 Page: 120-129
Author(s): Andrey A. Rubashkin,Mikhail A. Vorotyntsev
Solvation of Drugs as a Key for Understanding Partitioning and Passive Transport Exemplified by NSAIDs
Journal: Current Drug Delivery
Volume: 1 Issue: 3 Year: 2004 Page: 213-226
Author(s): German L. Perlovich, Annette Bauer-Brandl
Recent Advances in Free Energy Calculations with a Combination of Molecular Mechanics and Continuum Models
Journal: Current Computer-Aided Drug Design
Volume: 2 Issue: 3 Year: 2006 Page: 287-306
Author(s): Junmei Wang, Tingjun Hou, Xiaojie Xu
Linear Free Energy Relationship Analysis of Solvent Effects on Singlet Oxygen Reactions
Journal: Current Organic Chemistry
Volume: 7 Issue: 9 Year: 2003 Page: 799-819
Author(s): Else Lemp, Antonio L. Zanocco, Eduardo A. Lissi
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
Estimation of the Binding Free Energy by Linear Interaction Energy Models
Journal: Mini-Reviews in Medicinal Chemistry
Volume: 12 Issue: 6 Year: 2012 Page: 551-561
Author(s): O. Nicolotti,M. Convertino,F. Leonetti,M. Catto,S. Cellamare,A. Carotti
Advances in Binding Free Energies Calculations: QM/MM-Based Free Energy Perturbation Method for Drug Design
Journal: Current Pharmaceutical Design
Volume: 19 Issue: 26 Year: 2013 Page: 4674-4686
Author(s): R.S. Rathore,M. Sumakanth,M. Siva Reddy,P. Reddanna,Allam Appa Rao,Mark D. Erion,M.R. Reddy
Polymer Composites for Energy Storage Application
Ebook: Industrial Applications of Polymer Composites
Volume: 1 Year: 2023
Author(s):
Doi: 10.2174/9789815124811123010007