Understanding the comparative molecular field analysis (CoMFA) in terms of molecular quantum similarity and DFT-based reactivity descriptors-Reference-Cited by-同舟云学术

Understanding the comparative molecular field analysis (CoMFA) in terms of molecular quantum similarity and DFT-based reactivity descriptors

Published:2015-05-28 Issue:6 Volume:21 Page:
ISSN:1610-2940
Container-title:Journal of Molecular Modeling
language:en
Short-container-title:J Mol Model

Author:

Morales-Bayuelo Alejandro,Matute Ricardo A.,Caballero Julio

Publisher

Springer Science and Business Media LLC

Subject

Computational Theory and Mathematics,Inorganic Chemistry,Organic Chemistry,Physical and Theoretical Chemistry,Computer Science Applications,Catalysis

Link

http://link.springer.com/content/pdf/10.1007/s00894-015-2690-5.pdf

Reference66 articles.

1. Bohm M, Sturzebecher J, Klebe G (1999) J Med Chem 42:458

2. (1999) Nobel lecture: electronic structure of matter—wave functions and density functionals. Rev Mod Phys 71, No. 5

3. Amat L, Carbó-Dorca R, Ponec R (1999) J Med Chem 42:5169

4. Klebe G (1998) Comparative molecular similarity indices: CoMSIA. In: Kubinyi H, Folkers G, Martin YC (eds) 3D QSAR in drug design, vol 3. Kluwer, London, p 87

5. World Health Organization. Obesity and overweight. Consulted January 20, 2014. http://www.who.int/mediacentre/factsheets/fs311/en/index.html . Reported in April 8, 2014.

Cited by 16 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Analyzing a series of ligands against malaria through the application of molecular docking, molecular quantum similarity, and reactivity indices;F1000Research;2024-05-02

2. Study anti-viral drugs for their efficiency against multiple SARS CoV-2 drug targets within molecular docking, molecular quantum similarity, and chemical reactivity indices frameworks;F1000Research;2024-04-15

3. Understanding the high electronic quantum similarity of a series of ligands used as inhibitors of the SARS-CoV-2 virus by molecular mechanics and density functional theory approaches;F1000Research;2024-02-06

4. Quantifying the distortion by spin–orbit and spin–spin coupling in molecular clusters using Molecular Quantum Similarity;Journal of Mathematical Chemistry;2023-12-13

5. New findings on ligand series used as SARS-CoV-2 virus inhibitors within the frameworks of molecular docking, molecular quantum similarity and chemical reactivity indices;F1000Research;2023-12-11