Search Result "steric and electrostatic similarity."


Molecular Similarity and Property Similarity

Journal: Current Topics in Medicinal Chemistry
Volume: 4 Issue: 6 Year: 2004 Page: 589-600
Author(s): Frederique Barbosa, Dragos Horvath

Conformational Electrostatics in the Stabilization of the Peptide Anion

Journal: Current Organic Chemistry
Volume: 14 Issue: 2 Year: 2010 Page: 162-180
Author(s): Janet S. Anderson, Griselda Hernandez, David M. LeMaster

Electrostatics in Protein Binding and Function

Journal: Current Protein & Peptide Science
Volume: 3 Issue: 6 Year: 2002 Page: 601-614
Author(s): Neeti Sinha, Sandra J. Smith-Gill

CoMFA and CoMSIA 3D QSAR Models for a Series of Some Condensed Thieno[2,3-d]pyrimidin-4(3H)-ones with Antihistaminic (H1) Activity

Journal: Medicinal Chemistry
Volume: 9 Issue: 3 Year: 2013 Page: 389-401
Author(s): Meenakshi Singh,Sushil K. Singh,Mahesh T. Chhabria,Kamala Vasu,Dhaivat Pandya

3D Similarity Search for Lead Compound Identification

Ebook: In Silico Lead Discovery
Volume: 1 Year: 2011
Author(s): Frederic Guyon,Pierre Tuffery
Doi: 10.2174/978160805142711101010047

Exploring Protein-Protein and Protein-Ligand Interactions in the Immune System using Molecular Dynamics and Continuum Electrostatics

Journal: Current Physical Chemistry
Volume: 2 Issue: 4 Year: 2012 Page: 324-343
Author(s): Chris A. Kieslich,Phanourios Tamamis,Ronald D. Gorham Jr.,Aliana Lopez de Victoria,Noriko U. Sausman,Georgios Archontis,Dimitrios Morikis

Autocorrelation of Molecular Electrostatic Potential Surface Properties Combined with Partial Least Squares Analysis as Alternative Attractive Tool to Generate Ligand-Based 3D-QSARs

Journal: Current Drug Discovery Technologies
Volume: 2 Issue: 1 Year: 2005 Page: 13-21
Author(s): Stefano Moro, Magdalena Bacilieri, Cristina Ferrari, Giampiero Spalluto

In Silico Bioisosteric Replacements of hnRNP K Ligands as Anticancer Lead Compounds

Journal: Current Physical Chemistry
Volume: 4 Issue: 1 Year: 2014 Page: 30-34
Author(s): Vinicius B. Da Silva,Andreia M. Leopoldino,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

Research Article

3D-QSAR and Docking Studies on Pyrimidine Derivatives as CSF-1R Inhibitors

Journal: Letters in Drug Design & Discovery
Volume: 17 Issue: 3 Year: 2020 Page: 341-355
Author(s): Ya-ting Deng,Jun-wei Wang,Han Chu,Juan Wang,Yong Hu,Yong lin,Mao Shu,Zhi-hua Lin

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