Search Result "linear solvation energy relationship,"

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

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

The Effect of Phenyl Substituents on 13C NMR Shifts and Metal Ions Binding to 4-Phenyl-2,4-Dioxobutanoic Acid Derivatives

Journal: Letters in Organic Chemistry
Volume: 5 Issue: 8 Year: 2008 Page: 692-699
Author(s): Tatjana Z. Verbic, Branko J. Drakulic, Mire Zloh, Ivan O. Juranic

Overview of Binding Free Energy Calculation Techniques for Elucidation of Biological Processes and for Drug Discovery

Journal: Medicinal Chemistry
Volume: 11 Issue: 3 Year: 2015 Page: 248-253
Author(s): Takeshi Ashida, Takeshi Kikuchi

Recent Advances on Aqueous Solubility Prediction

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 14 Issue: 5 Year: 2011 Page: 328-338
Author(s): Junmei Wang, Tingjun Hou

Molecular Recognition and Binding Free Energy Calculations in Drug Development

Journal: Current Pharmaceutical Biotechnology
Volume: 9 Issue: 2 Year: 2008 Page: 87-95
Author(s): B. N. Dominy

Review Article

Intelligently Applying Artificial Intelligence in Chemoinformatics

Journal: Current Topics in Medicinal Chemistry
Volume: 18 Issue: 2 Year: 2018 Page: 1804-1826
Author(s): Sahil Sharma,Deepak Sharma

Structural Activity Relationship and In-Silico Methods in Drug Design

Ebook: In-Silico and In-Vitro Approaches to Screen the Antituberculosis Activity of Benzothiazole Analogs
Volume: 1 Year: 2021
Author(s): Mahesh Bhat,S.L. Belagali,E.V. Sekhar
Doi: 10.2174/9789811494635121010005

Physical Organic Perspectives on Phospho Group Transfer From Phosphates and Phosphinates

Journal: Current Organic Chemistry
Volume: 9 Issue: 1 Year: 2005 Page: 61-74
Author(s): A. C. Hengge, I. Onyido

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