Search Result "TIP3P water model"
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
Ice, The Crystalline Phase of 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: 10.2174/9781681084237117010009
Water Above its Boiling Point
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: 10.2174/9781681084237117010010
Modelling the Effect of Solvents on Carbohydrates
Journal: Mini-Reviews in Organic Chemistry
Volume: 8 Issue: 3 Year: 2011 Page: 249-255
Author(s): Vojtech Spiwok, Alfred D. French
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
A Pharmacophore Model Specific to Active Site of CYP1A2 with a Novel Molecular Modeling Explorer and CoMFA
Journal: Medicinal Chemistry
Volume: 8 Issue: 2 Year: 2012 Page: 198-207
Author(s): Hitesh K. Agarwal, Gustavo F. Doncel, Keykavous Parang
Free Energy of Ligand Binding to Protein: Evaluation of the Contribution of Water Molecules by Computational Methods
Journal: Current Medicinal Chemistry
Volume: 11 Issue: 2 Year: 2004 Page: 3093-3118
Author(s): Pietro Cozzini, Micaela Fornabaio, Anna Marabotti, Donald J. Abraham, Glen E. Kellogg, Andrea Mozzarelli
Molecular Modeling of Flavonoid-β-Cyclodextrin Complexes
Journal: Letters in Drug Design & Discovery
Volume: 5 Issue: 8 Year: 2008 Page: 512-520
Author(s): Ying Zheng, Albert H.L. Chow, Ian S. Haworth
Molecular Dynamics Model of Unliganded HIV-1 Reverse Transcriptase
Journal: Medicinal Chemistry
Volume: 2 Issue: 5 Year: 2006 Page: 491-498
Author(s): A.T. P. Carvalho, P. A. Fernandes, M. J. Ramos
Pentameric models as alternative molecular targets for the design of new antiaggregant agents
Journal: Current Protein & Peptide Science
Volume: 17 Issue: 2 Year: 2016 Page: 156-168
Author(s): Exequiel E. Barrera Guisasola,Lucas J. Gutierrez,Sebastián A. Andujar,Emilio Angelina,Ana M. RodrÃguez,Ricardo D. Enriz