Search Result "WaterMap"
Calculating Water Thermodynamics in the Binding Site of Proteins â Applications of WaterMap to Drug Discovery
Journal: Current Topics in Medicinal Chemistry
Volume: 17 Issue: 23 Year: 2017 Page: 2586-2598
Author(s): Daniel Cappel,Woody Sherman,Thijs Beuming
Water Mapping and Scoring Approaches to Predict the Role ofHydration Sites in the Binding Affinity of PAK1 Inhibitors
Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 25 Issue: 4 Year: 2022 Page: 660-676
Author(s): Jayashree Biswal,Prajisha Jayaprakash,Suresh Kumar Rayala,Ganesh Venkatraman,Raghu Rangasamy,Saritha Poopandi
Implications of Dynamic Occupancy, Binding Kinetics, and Channel Gating Kinetics for hERG Blocker Safety Assessment and Mitigation
Journal: Current Topics in Medicinal Chemistry
Volume: 16 Issue: 16 Year: 2016 Page: 1792-1818
Author(s): Robert A. Pearlstein,K. Andrew MacCannell,Gül Erdemli,Sarita Yeola,Gabriel Helmlinger,Qi-Ying Hu,Ramy Farid,William Egan,Steven Whitebread,Clayton Springer,Jeremy Beck,Hao-Ran Wang,Mateusz Maciejewski,Laszlo Urban,José S. Duca
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
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
Editorial: Computer Aided Structure-based Lead Optimization
Journal: Current Topics in Medicinal Chemistry
Volume: 17 Issue: 23 Year: 2017 Page: 2575-2576
Author(s): Thijs Beuming,Lei Shi
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
Review on PCSK9: A Pertinent Therapeutic Target in Cardiovascular Disease
Journal: Current Bioactive Compounds
Volume: 20 Issue: 1 Year: 2024 Page: 43-52
Author(s):
Discovery and Development of Cyclin-Dependent Kinase 8 Inhibitors
Journal: Current Medicinal Chemistry
Volume: 27 Issue: 32 Year: 2020 Page: 5429-5443
Author(s): Xiao Lv,Yongbing Tian,Shiyu Li,Kai Cheng,Xufeng Huang,Haiyan Kong,Chenzhong Liao,Zhouling Xie