Search Result "molecular interaction fields"


General Aspects of Molecular Interaction Fields in Drug Design

Ebook: Young People’s Visions of the World
Volume: 1 Year: 2010
Author(s): Vinicius Barreto da Silva,Jonathan Resende de Almeida,Carlos Henrique Tomich de Paula da Silva

Molecular Dynamics, Density Functional Theory, Pharmacophore Modeling, Molecular Interaction Fields and ADME/Tox Investigation of Novel Bioactive Compounds Interacting with CDK2 Surfaces

Journal: Current Physical Chemistry
Volume: 4 Issue: 1 Year: 2014 Page: 94-105
Author(s): Fernanda P. Ferreira, Wagner F. Couto, Vanessa Fontana, Carlton A. Taft, Carlos H.T.P. Da Silva

High Content Pharmacophores from Molecular Fields: A Biologically Relevant Method for Comparing and Understanding Ligands

Journal: Current Computer-Aided Drug Design
Volume: 7 Issue: 3 Year: 2011 Page: 190-205
Author(s): Timothy J. Cheeseright, Mark D. Mackey, Robert A. Scoffin

Mapping Selectivity and Specificity of Active Site of Plasmepsins from Plasmodium falciparum Using Molecular Interaction Field Approach

Journal: Protein & Peptide Letters
Volume: 14 Issue: 6 Year: 2007 Page: 569-574
Author(s): Amit Kumar, Indira Ghosh

Research Article

Analytical Insight into the Effect of Electric Field on Molecular Properties of Homonuclear Diatomic Molecules

Journal: Current Smart Materials
Volume: 2 Issue: 2 Year: 2017 Page: 153-161
Author(s): Fouad N. Ajeel

Research Article

The Interaction of Isoflavone Phytoestrogens with ERα and ERβ by Molecular Docking and Molecular Dynamics Simulations

Journal: Current Computer-Aided Drug Design
Volume: 16 Issue: 0 Year: 2020 Page: 1-12
Author(s): Ting Wang,Yaquan Liu,Xuming Zhuang,Feng Luan,Chunyan Zhao

Prediction and Dissection of Protein-RNA Interactions by Molecular Descriptors

Journal: Current Topics in Medicinal Chemistry
Volume: 16 Issue: 6 Year: 2016 Page: 604-615
Author(s): Zhi-Ping Liu, Luonan Chen

Drug-Lipid Membrane Interaction Mechanisms Revealed Through Molecular Simulations

Journal: Current Physical Chemistry
Volume: 2 Issue: 4 Year: 2012 Page: 379-400
Author(s): Oana Cramariuc, Tomasz Rog, Ilpo Vattulainen

Protein-Carbohydrate Interactions Studied by NMR: From Molecular Recognition to Drug Design

Journal: Current Protein & Peptide Science
Volume: 13 Issue: 8 Year: 2012 Page: 816-830
Author(s): Maria del Carmen Fernandez-Alonso, Dolores Diaz, Manuel Alvaro Berbis, Filipa Marcelo, Javier Canada, Jesus Jimenez-Barbero

Three Dimensional Molecular Field Analysis of Thiomorpholine Analogs of TACE Inhibitors Using Receptor Based Alignment

Journal: Letters in Drug Design & Discovery
Volume: 7 Issue: 4 Year: 2010 Page: 269-274
Author(s): Malkeet Singh Bahia, Neha Bagga, Rambabu Gundla, Om Silakari

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