Search Result "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

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 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

Free Energy Perturbation Calculations on Glucosidase-Inhibitor Complexes

Journal: Medicinal Chemistry
Volume: 1 Issue: 5 Year: 2005 Page: 455-460
Author(s): F. M. Ruiz, J. R. Grigera

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

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

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

The Linear Interaction Energy Method for Predicting Ligand Binding Free Energies

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 4 Issue: 8 Year: 2001 Page: 613-626
Author(s): Johan Aqvist, John Marelius

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

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