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

Research Article

Evidence of Protein Binding by a Nucleopeptide Based on a Thyminedecorated L-Diaminopropanoic Acid through CD and In Silico Studies

Journal: Current Medicinal Chemistry
Volume: 28 Issue: 2 Year: 2021 Page: 5004-5015
Author(s): Valentina Roviello,Domenica Musumeci,Andriy Mokhir,Giovanni N. Roviello

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

Review Article

Advances in the Treatment of Explicit Water Molecules in Docking and Binding Free Energy Calculations

Journal: Current Medicinal Chemistry
Volume: 26 Issue: 4 Year: 2019 Page: 7598-7622
Author(s): Xiao Hu,Irene Maffucci,Alessandro Contini

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

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

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