Search Result "hydration free energy"


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

Free Energy Calculations for Cyclodextrin Inclusion Complexes

Journal: Current Organic Chemistry
Volume: 15 Issue: 6 Year: 2011 Page: 839-847
Author(s): Wen Sheng Cai, Teng Wang, Ying Zhe Liu, Peng Liu, Christophe Chipot, Xue Guang Shao

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

Review on Hydrate Dissociation Kinetic Behavior

Journal: Current Physical Chemistry
Volume: 2 Issue: 3 Year: 2012 Page: 294-311
Author(s): Wen-Zhi Li,Chang-Yu Sun,Sheng-Li Li,Feng-Guang Li,Qing-Yuan,Bei Liu,Qing-Lan Ma,Lan-Ying Yang,Guang-Jin Chen

Review Article

A Critical Review of Validation, Blind Testing, and Real- World Use of Alchemical Protein-Ligand Binding Free Energy Calculations

Journal: Current Topics in Medicinal Chemistry
Volume: 17 Issue: 23 Year: 2017 Page: 2577-2585
Author(s): Robert Abel,Lingle Wang,David L. Mobley,Richard A. Friesner

Bone Water: Effects of Drugs on Bone Hydration Status

Ebook: Osteoporosis, Osteoarthritis and Rheumatoid Arthritis: An Agonizing Skeletal Triad
Volume: 1 Year: 2023
Author(s):
Doi: 10.2174/9789815196085123010008

Protein Interactions, Hydration and Solvation Structure in Osmolyte Solutions: Lysozyme in Free Amino Acids Solutions

Journal: Current Physical Chemistry
Volume: 4 Issue: 2 Year: 2014 Page: 202-215
Author(s): Abdoul Rahim,K. J. Jalkanen

Identification of HIV Inhibitors Guided by Free Energy Perturbation Calculations

Journal: Current Pharmaceutical Design
Volume: 18 Issue: 9 Year: 2012 Page: 1199-1216
Author(s): Orlando Acevedo, Zandrea Ambrose, Patrick T. Flaherty, Hadega Aamer, Prashi Jain, Somisetti V. Sambasivarao

Life Origination Hydrate Theory (LOH-Theory): Thermodynamic and Kinetic Factors in the Natural Mechanisms of Amino-Acids Origination

Journal: Mini-Reviews in Organic Chemistry
Volume: 12 Issue: 5 Year: 2015 Page: 388-396
Author(s): Elena A. Kadyshevich,Victor E. Ostrovskii

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