Search Result "in silico analyses of scoring binding energy"


Computational Intelligence Methods for Docking Scores

Journal: Current Computer-Aided Drug Design
Volume: 5 Issue: 1 Year: 2009 Page: 56-68
Author(s): David Hecht, Gary B. Fogel

Atomistic Models for Free Energy Evaluation of Drug Binding to Membrane Proteins

Journal: Current Medicinal Chemistry
Volume: 18 Issue: 1 Year: 2011 Page: 2601-2611
Author(s): S. Durdagi, C. Zhao, J. E. Cuervo, S. Y. Noskov

Research Article

In vitro and In silico: Selectivities of Seychellene Compound as Candidate Cyclooxygenase Isoenzyme Inhibitor on Pre-Osteoblast Cells

Journal: Current Enzyme Inhibition
Volume: 13 Issue: 1 Year: 2017 Page: 2-10
Author(s): Sentot J. Raharjo,Chanif Mahdi,Nurdiana Nurdiana,Takheshi Kikuchi,Fatchiyah Fatchiyah

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

In Silico Prediction of Binding Sites on Proteins

Journal: Current Medicinal Chemistry
Volume: 17 Issue: 1 Year: 2010 Page: 1550-1562
Author(s): Simon Leis, Sebastian Schneider, Martin Zacharias

In Silico and Biochemical Analyses Identify Quinone Reductase 2 as a Target of Piceatannol

Journal: Current Medicinal Chemistry
Volume: 20 Issue: 3 Year: 2013 Page: 4195-4202
Author(s): Tze-Chen Hsieh, Dylan John Bennett, Yong-Syu Lee, Erxi Wu, Joseph M. Wu

G Protein-Coupled Receptors: Target-Based In Silico Screening

Journal: Current Pharmaceutical Design
Volume: 15 Issue: 3 Year: 2009 Page: 4049-4068
Author(s): Hanoch Senderowitz, Yael Marantz

In Silico Design of Protein Kinase Inhibitors: Successes and Failures

Journal: Anti-Cancer Agents in Medicinal Chemistry
Volume: 7 Issue: 2 Year: 2007 Page: 171-188
Author(s): Galina G. Dubinina, Oleksandr O. Chupryna, Maxim O. Platonov, Petro O. Borisko, Galina V. Ostrovska, Andriy O. Tolmachov, Alexander A. Shtil

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

In Silico and Ex Silico ADME Approaches for Drug Discovery

Journal: Current Topics in Medicinal Chemistry
Volume: 2 Issue: 1 Year: 2002 Page: 1287-1304
Author(s): Ferenc Darvas, Gyorgy Keseru, Akos Papp, Gyorgy Dorman, Laszlo Urge, Peter Krajcsi

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