Search Result "explicit model of water"
Explicit Treatment of Water Molecules in Protein-Ligand Docking
Journal: Current Computer-Aided Drug Design
Volume: 5 Issue: 3 Year: 2009 Page: 145-154
Author(s): Oscar Villacanas, Sergio Madurga, Ernest Giralt, Ignasi Belda
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
Supercooled & Glassy Water
Ebook: A Journey Through Water: A Scientific Exploration of The Most Anomalous Liquid on Earth
Volume: 1 Year: 2017
Author(s): Jestin Baby Mandumpal
Doi: 10.2174/9781681084237117010008
The Role of Water Molecules in Computational Drug Design
Journal: Current Topics in Medicinal Chemistry
Volume: 10 Issue: 1 Year: 2010 Page: 55-66
Author(s): Stephanie B.A. de Beer, Nico P.E. Vermeulen, Chris Oostenbrink
Solvation Models: Theory and Validation
Journal: Current Pharmaceutical Design
Volume: 20 Issue: 20 Year: 2014 Page: 3266-3280
Author(s): Enrico O. Purisima,Traian Sulea
Emerging Water Pollutants from Pharmaceuticals and Personal Care Products
Ebook: Emerging Water Pollutants: Concerns and Remediation Technologies
Volume: 1 Year: 2022
Author(s):
Doi: 10.2174/97897815040739122010004
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
Comparison of Protein-water Interactions in Psychrophilic, Mesophilic, and Thermophilic Fe-SOD
Journal: Protein & Peptide Letters
Volume: 21 Issue: 6 Year: 2014 Page: 578-583
Author(s): Zhaolin Mou,Yanrui Ding,Xueqin Wang,Yujie Cai
Two-, Three-, and Four-State Events Occur in the Mechanical Unfolding of Small Protein L Using Molecular Dynamics Simulations
Journal: Protein & Peptide Letters
Volume: 17 Issue: 1 Year: 2010 Page: 92-103
Author(s): Anna V. Glyakina, Nikolay K. Balabaev, Oxana V. Galzitskaya
Emerging Water Pollutants from Food and Packaging Industry
Ebook: Emerging Water Pollutants: Concerns and Remediation Technologies
Volume: 1 Year: 2022
Author(s):
Doi: 10.2174/97897815040739122010005