Search Result "Molecular polarizability"

Development, Validation, and Applications of Anisotropic Polarizable Molecular Mechanics to Study Ligand and Drug-Receptor Interactions

Journal: Current Pharmaceutical Design
Volume: 12 Issue: 1 Year: 2006 Page: 2121-2158
Author(s): Nohad Gresh

Molecular Mechanics

Journal: Current Pharmaceutical Design
Volume: 20 Issue: 20 Year: 2014 Page: 3281-3292
Author(s): Kenno Vanommeslaeghe,Olgun Guvench,Alexander D. MacKerell Jr.

Regulative Role of Atomic Auto Correlated Electronegativities and Polarizabilities in β2 Potency of Ultralong Acting Agonists Identified in QSAR Studies

Journal: Current Bioinformatics
Volume: 10 Issue: 5 Year: 2015 Page: 503-508
Author(s): Srinivas Bandaru,Vinod Cingeetham,Uday Raj Akare,Deeksha Yadav,Nihit Aggarwal,Venkata Ravi Gutlapalli,Anuraj Nayarisseri,Mukesh Yadav

Research Article

Molecular Dynamics Simulation and DFT Study to Predict the Refractive Index of Intermediates in the Paal-Knorr Pyrrole Synthesis

Journal: Letters in Organic Chemistry
Volume: 14 Issue: 2 Year: 2017 Page: 120-127
Author(s): Mohsen Sargolzaei,Esmaiel Soleimani,Mahdi Afshar

Research Article

Imidazole-based Derivatives as Potential Anti-platelet Inhibitors: DFT and Molecular Docking Study

Journal: Letters in Drug Design & Discovery
Volume: 13 Issue: 9 Year: 2016 Page: 888-896
Author(s): Mehbub I. K. Momin, Neil A. Koorbanally, Bahareh Honarparvar

Research Article

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

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

The WWW as a Tool to Obtain Molecular Parameters

Journal: Mini-Reviews in Medicinal Chemistry
Volume: 3 Issue: 8 Year: 2003 Page: 809-820
Author(s): Igor V. Tetko

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

Research Article

Modeling Physico-Chemical Properties of Quinolone Derivatives Using GA-MLR as a Computational Study

Journal: Current Computer-Aided Drug Design
Volume: 16 Issue: 6 Year: 2020 Page: 667-681
Author(s): Meysam Shirmohammadi,Esmat Mohammadinasab,Zakiyeh Bayat

Analysis of the α-Glucosidase Inhibitory Activity of Chromenone Derivatives Based on their Molecular Features: A Computational Study

Journal: Medicinal Chemistry
Volume: 7 Issue: 6 Year: 2011 Page: 526-533
Author(s): N. S. Hari Narayana Moorthy, Maria J. Ramos, Pedro A. Fernandes

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