Search Result "Geometryoptimization"
DFT Study of the Mechanisms of Transition-Metal-Catalyzed Reductive Coupling Reactions
Journal: Current Organic Chemistry
Volume: 24 Issue: 12 Year: 2020 Page: 1367-1383
Author(s): Yuling Wang,Qinghua Ren
Investigation and Analytical Applications of the Reaction of N1-methylnicotinamide and Active Methylene Containing Drugs
Journal: Current Pharmaceutical Analysis
Volume: 17 Issue: 10 Year: 2021 Page: 1331-1338
Author(s): Heba A. Elsebaie,Mervat H. Elhamamsy,Khaled M. Elokely,Mohammed A. Eldawy
Internet Resources for Drug Discovery and Design
Journal: Current Topics in Medicinal Chemistry
Volume: 18 Issue: 22 Year: 2018 Page: 1955-1975
Author(s): Vladimir Potemkin,Andrey Potemkin,Maria Grishina
Applications of DFT on Molecular Systems: How Gaussian Works
Ebook: DFT Based Studies on Bioactive Molecules
Volume: 1 Year: 2021
Author(s): Ambrish Kumar Srivastava,Neeraj Misra
Doi: 10.2174/9789814998369121010004
The Monomers of the P2X1 Receptor Model and KcsA Protein Share a Similar Structural Fold.
Journal: Protein & Peptide Letters
Volume: 13 Issue: 1 Year: 2006 Page: 77-81
Author(s): P. P. Mager, A. Weber, L. Sanchez, K. Wirkner, P. Illes
The Molecular Basis of COX-2 Versus COX-1 Selectivity of Lumiracoxib by Molecular Docking Studies
Journal: Letters in Drug Design & Discovery
Volume: 4 Issue: 6 Year: 2007 Page: 422-425
Author(s): Celia M. Correa, Andre F. de Paula, Gilberto M.S. da Silva, Carlos M.R. SantAnna, Carlos A. M. Fraga, Eliezer J. Barreiro
Extensive Computational Studies for the Identification of Potential TherapeuticCandidates Against Breast Cancer
Journal: Current Indian Science
Volume: 2 Issue: 1 Year: 2024 Page: 1-16
Author(s): Raghuvir R. S. Pissurlenkar
Biologically Active Compounds and Structure- Activity Relationship
Ebook: The Chemistry inside Spices & Herbs: Research and Development
Volume: 1 Year: 2022
Author(s): Sunil H. Ganatra
Doi: 10.2174/9789815039566122010012
QSAR Analysis of Compounds Exhibiting General Anestheticsâ Properties
Journal: Letters in Drug Design & Discovery
Volume: 9 Issue: 6 Year: 2012 Page: 595-603
Author(s): Leszek Bober,Piotr Kawczak,Tomasz Baczek
Cycloadditions, Cycloisomerizations and Related Reactions of Alkynes Bearing Group 13 or 14 Heteroelements
Journal: Current Organic Chemistry
Volume: 9 Issue: 1 Year: 2005 Page: 1699-1712
Author(s): Vincent Gandon, Corinne Aubert, Max Malacria