Atomic insight into designed carbamate-based derivatives as acetylcholine esterase (AChE) inhibitors: a computational study by multiple molecular docking and molecular dynamics simulation-Reference-Cited by-同舟云学术

Atomic insight into designed carbamate-based derivatives as acetylcholine esterase (AChE) inhibitors: a computational study by multiple molecular docking and molecular dynamics simulation

Published:2017-01-11 Issue:1 Volume:36 Page:126-138
ISSN:0739-1102
Container-title:Journal of Biomolecular Structure and Dynamics
language:en
Short-container-title:Journal of Biomolecular Structure and Dynamics

Author:

Mohammadi Tecush¹,Ghayeb Yousef¹

Affiliation:

1. Department of Chemistry, Isfahan University of Technology, Isfahan, Iran

Funder

Isfahan University of Technology

Publisher

Informa UK Limited

Subject

Molecular Biology,General Medicine,Structural Biology

Link

https://www.tandfonline.com/doi/pdf/10.1080/07391102.2016.1268977

Reference36 articles.

1. Synthesis, biological activity and molecular modeling studies on 1H-benzimidazole derivatives as acetylcholinesterase inhibitors

2. A well-behaved electrostatic potential based method using charge restraints for deriving atomic charges: the RESP model

3. Density‐functional thermochemistry. I. The effect of the exchange‐only gradient correction

4. Molecular dynamics with coupling to an external bath

5. Acetylcholinesterase Inhibitors: Pharmacology and Toxicology

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