Search Result "3D-RISM"
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
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
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
Virtual Screening for the Development of Dual-Inhibitors Targeting Topoisomerase IB and Tyrosyl-DNA Phosphodiesterase 1
Journal: Current Drug Targets
Volume: 18 Issue: 5 Year: 2017 Page: 544-555
Author(s): Francesca Cardamone,Simone Pizzi,Federico Iacovelli,Mattia Falconi,Alessandro Desideri
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
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
Structure-Based Virtual Screening for Drug Discovery: Principles, Applications and Recent Advances
Journal: Current Topics in Medicinal Chemistry
Volume: 14 Issue: 16 Year: 2014 Page: 1923-1938
Author(s): Evanthia Lionta,George Spyrou,Demetrios K. Vassilatis,Zoe Cournia