Search Result "3D-RISM theory"

A Novel Ligand-Mapping Method Based on Molecular Liquid Theory

Journal: Current Pharmaceutical Design
Volume: 17 Issue: 1 Year: 2011 Page: 1685-1694
Author(s): Takashi Imai

Molecular Recognition Explored by a Statistical-Mechanics Theory of Liquids

Journal: Current Pharmaceutical Design
Volume: 17 Issue: 1 Year: 2011 Page: 1740-1757
Author(s): Saree Phongphanphanee, Norio Yoshida, Fumio Hirata

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

Review Article

A Perspective on Water Site Prediction Methods for Structure Based Drug Design

Journal: Current Topics in Medicinal Chemistry
Volume: 17 Issue: 23 Year: 2017 Page: 2599-2616
Author(s): Alan P. Graves,Ian D. Wall,Colin M. Edge,James M. Woolven,Guanglei Cui,Armelle Le Gall,Xuan Hong,Kaushik Raha,Eric S. Manas

A Perspective on Quantum Mechanics Calculations in ADMET Predictions

Journal: Current Topics in Medicinal Chemistry
Volume: 13 Issue: 11 Year: 2013 Page: 1257-1272
Author(s): J. Phillip Bowen,Osman F. Guner

Quantum Pharmacology for Infectious Diseases: A Molecular Connectivity Approach

Journal: Current Computer-Aided Drug Design
Volume: 8 Issue: 3 Year: 2012 Page: 249-254
Author(s): Shailza Singh

Review Article

Advances in the Treatment of Explicit Water Molecules in Docking and Binding Free Energy Calculations

Journal: Current Medicinal Chemistry
Volume: 26 Issue: 42 Year: 2019 Page: 7598-7622
Author(s): Xiao Hu,Irene Maffucci,Alessandro Contini

Review Article

The Role of Water Network Chemistry in Proteins: A Structural BioinformaticsPerspective in Drug Discovery and Development

Journal: Current Topics in Medicinal Chemistry
Volume: 22 Issue: 20 Year: 2022 Page: 1636-1653
Author(s): Masilamani Elizabeth Sobhia,Gajjala Siva Kumar

Review Article

Introduction of Advanced Methods for Structure-based Drug Discovery

Journal: Current Bioinformatics
Volume: 16 Issue: 3 Year: 2021 Page: 351-363
Author(s): Bilal Shaker,Kha Mong Tran,Chanjin Jung,Dokyun Na

Current State-of-the-art for Virtual Screening and Docking Methods

Ebook: New Developments in Medicinal Chemistry
Volume: 2 Year: 2014
Author(s): Carlton Anthony Taft,Carlos Henrique Tomich de Paula da Silva
Doi: 10.2174/9781608059546114020004

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