Search Result "molecular electrostaticpotential"
Molecular Interactions Between Human Cytochrome P450 1A2 and Flavone Derivatives
Journal: Medicinal Chemistry
Volume: 2 Issue: 4 Year: 2006 Page: 401-406
Author(s): Maria Joao Ramos, Francesco Iori, Maria Cristina Menziani, Andre Melo, Rute da Fonseca
Molecular Dynamics Applied to Discover Antiviral Agents
Ebook: Frontiers in Computational Chemistry
Volume: 6 Year: 2022
Author(s): Igor José dos Santos Nascimento
Doi: 10.2174/9789815036848122060005
Discovery of an Unexplored Protein Structural Scaffold of Serine Protease from Big Blue Octopus (Octopus cyanea): A New Prospective Lead Molecule
Journal: Current Drug Discovery Technologies
Volume: 14 Issue: 2 Year: 2017 Page: 135-140
Author(s): Subhamay Panda,Leena Kumari
Screening and Analysis of Hypolipidemic Components from Shuangdan Capsule Based on Pancreatic Lipase
Journal: Current Bioinformatics
Volume: 15 Issue: 5 Year: 2020 Page: 478-492
Author(s): Y.J. Qi,H.N. Lu,Y.M. Zhao,Z. Wang,Y.J. Ji,N.Z. Jin,Z.R. Ma
Computational Aspects of Organochlorine Compounds: DFT Study and Molecular Docking Calculations
Ebook: Computational Toxicology for Drug Safety and a Sustainable Environment
Volume: 1 Year: 2023
Author(s):
Doi: 10.2174/9789815196986123010009
Synthesis, Antifungal Evaluation of 3-[{(1-aminomethyl) -5,7-dimethyl-2-oxoindolin-3-ylidene} amino]-2-phenylquinazolin-4(3H)-ones and theirNLO, MESP, Global Reactivity Descriptor, and AIM Study through DFTApproach
Journal: Letters in Organic Chemistry
Volume: 20 Issue: 4 Year: 2023 Page: 326-336
Author(s): Aniruddh Prasad Chaudhary,Sudhir Kumar Srivastava
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
Molecular Modeling and Cyclodextrins: A Relationship Strengthened By Complexes
Journal: Current Organic Chemistry
Volume: 10 Issue: 7 Year: 2006 Page: 715-729
Author(s): E. A. Castro, D. A. J. Barbiric
Theoretical Study and Principal Component Analysis of Focal Adhesion Kinase Inhibitors
Journal: Current Physical Chemistry
Volume: 5 Issue: 4 Year: 2015 Page: 337-346
Author(s):
Cucurbit[n]urils Based Molecular Recognition with Fluorescence Signalling
Ebook: Photophysics of Supramolecular Architectures
Volume: 1 Year: 2022
Author(s):
Doi: 10.2174/9789815049190122010008