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
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
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
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
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