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

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

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

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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