Search Result "molecular interaction fields"
General Aspects of Molecular Interaction Fields in Drug Design
Ebook: New Developments in Medicinal Chemistry
Volume: 1 Year: 2010
Author(s): Vinicius Barreto da Silva,Jonathan Resende de Almeida,Carlos Henrique Tomich de Paula da Silva
Doi: 10.2174/978160805127411001010070
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
The Study of Interaction of Melphalan with SWCNT- BNNT ThroughForce Fields Molecular Mechanics and Quantum Calculations in DifferentSolvents and Temperatures
Journal: Letters in Organic Chemistry
Volume: 20 Issue: 7 Year: 2023 Page: 657-671
Author(s): Mohammad Hassan Jamshidi
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
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
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
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
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
Density Functional Theory, Molecular Interaction Fields, Pharmacophore, Virtual Screening and Physical Chemistry of the Interactions of Novel Acetylcholinesterase Inhibitors in Alzheimer´s Disease
Journal: Current Physical Chemistry
Volume: 3 Issue: 4 Year: 2013 Page: 419-430
Author(s): Jonathan Resende de Almeida,Carlton A. Taft,Carlos Henrique Tomich de Paula da Silva