Search Result "water molecules"


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

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

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

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

Research Article

The Importance of Structural Water in HDAC8 for Correct Binding Pose Applied forDrug Design of Anticancer Molecules

Journal: Anti-Cancer Agents in Medicinal Chemistry
Volume: 24 Issue: 15 Year: 2024 Page: 1109-1125
Author(s): Humberto Lubriel Mendoza-Figueroa

The Unsuspected Intrinsic Property of Respiratory Pigments to Dissociate, Irreversible, the Water Molecule

Ebook: Melanin, the Master Molecule
Volume: 1 Year: 2018
Author(s): Arturo Solís Herrera
Doi: 10.2174/9781681086538118010007

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

Oxygen, Vital Element in Water

Ebook: Oxygen, the Breath of Life: Boon and Bane in Human Health, Disease, and Therapy
Volume: 1 Year: 2017
Author(s): Olen R. Brown
Doi: 10.2174/9781681084251117010008

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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