Search Result "bridging water molecules."


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

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

Structure and Function of Water Molecules Buried in the Protein Core

Journal: Current Protein & Peptide Science
Volume: 16 Issue: 3 Year: 2015 Page: 259-265
Author(s): Oliviero Carugo

Review Article

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

Water Molecules Increases Binding Affinity of Natural PI3Kγ Inhibitors Against Cancer

Journal: Current Computer-Aided Drug Design
Volume: 11 Issue: 4 Year: 2015 Page: 304-320
Author(s): Pooja Sharma,Aparna Shukla,Komal Kalani,Vijaya Dubey,Santosh Kumar Srivastava,Suaib Luqman,Feroz Khan

Review Article

Bridged Benzocyclotrimers: Concepts, Synthesis, and Applications

Journal: Current Organic Chemistry
Volume: 25 Issue: 24 Year: 2021 Page: 2912-2937
Author(s): Sergio Cossu,Paola Peluso

Structure-Based Prediction of the Mobility and Disorder of Water Molecules at Protein-DNA Interface

Journal: Protein & Peptide Letters
Volume: 18 Issue: 2 Year: 2011 Page: 203-209
Author(s): Xiaoli Luo, Fenglin Lv, Yuzhu Pan, Xiangjun Kong, Yuanchao Li, Qingwu Yang

Cross Bridging Proteins in Nature and their Utilization in Bio- and Nanotechnology

Journal: Current Protein & Peptide Science
Volume: 5 Issue: 1 Year: 2004 Page: 33-49
Author(s): Ilan Levy, Oded Shoseyov

Modeling Reality for Optimal Docking of Small Molecules to Biological Targets

Journal: Current Computer-Aided Drug Design
Volume: 5 Issue: 4 Year: 2009 Page: 241-263
Author(s): Christopher R. Corbeil, Eric Therrien, Nicolas Moitessier

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

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