Exploring quantum computational, molecular docking, and molecular dynamics simulation with MMGBSA studies of ethyl-2-amino-4-methyl thiophene-3-carboxylate-Reference-Cited by-同舟云学术

Exploring quantum computational, molecular docking, and molecular dynamics simulation with MMGBSA studies of ethyl-2-amino-4-methyl thiophene-3-carboxylate

Published:2023-02-21 Issue:20 Volume:41 Page:10411-10429
ISSN:0739-1102
Container-title:Journal of Biomolecular Structure and Dynamics
language:en
Short-container-title:Journal of Biomolecular Structure and Dynamics

Author:

Fatima Aysha¹²,Khanum Ghazala¹,Srivastava Sanjay Kumar¹,Bhattacharya Prabuddha³,Ali Akram²,Arora Himanshu⁴^ORCID,Siddiqui Nazia⁵,Javed Saleem⁴^ORCID

Affiliation:

1. S.O.S in Chemistry, Jiwaji University, Gwalior, India

2. Department of Chemistry, CMP College, University of Allahabad, Prayagraj, India

3. Department of Chemistry, Mrinalini Datta Mahavidyapith, Kolkata, India

4. Department of Chemistry, University of Allahabad, Prayagraj, India

5. Department of Chemistry, Dayalbagh Educational Institute, Agra, India

Publisher

Informa UK Limited

Subject

Molecular Biology,General Medicine,Structural Biology

Link

https://www.tandfonline.com/doi/pdf/10.1080/07391102.2023.2180667

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2. Synthesis, spectroscopic studies and DFT/TD-DFT/PCM calculations of molecular structure, spectroscopic characterization and NBO of charge transfer complex between 5-amino-1,3-dimethylpyrazole (5-ADMP) with chloranilic acid (CLA) in different solvents

3. Disperse Dyes Based on Aminothiophenes: Their Dyeing Applications on Polyester Fabrics and Their Antimicrobial Activity

4. Biological action of molecular adduct pyrazole:trichloroacetic acid on Candida albicans and ctDNA - A combined experimental, Fukui functions calculation and molecular docking analysis

5. Aminothienopyridazines as imaging probes of tau pathology: a patent evaluation of WO2013090497

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