Comparing molecular dynamics-derived pharmacophore models with docking: A study on CDK-2 inhibitors-Reference-Cited by-同舟云学术

Comparing molecular dynamics-derived pharmacophore models with docking: A study on CDK-2 inhibitors

Published:2020-08 Issue: Volume:28 Page:100485
ISSN:2405-8300
Container-title:Chemical Data Collections
language:en
Short-container-title:Chemical Data Collections

Author:

Culletta Giulia,Almerico Anna Maria,Tutone Marco

Funder

Ministero dell’Istruzione, dell’Università e della Ricerca

Università degli Studi di Palermo

Publisher

Elsevier BV

Subject

General Chemistry

Reference42 articles.

1. Drug design: structure- and ligand-based approaches. Edited by Kenneth M. MerzJr., Dagmar Ringe, and Charles H. Reynolds. Cambridge and New York: cambridge University Press. 274 p.; ISBN: 978-0-521-88723-6. 2010;Krusemark;Q. Rev. Biol.,2012

2. Recent advances in ligand-based drug design: relevance and utility of the conformationally sampled pharmacophore approach;Acharya;Curr. Comput. Aided-Drug Des.,2010

3. How to explore chemical space using algorithms and automation;Gromski;Nat. Rev. Chem.,2019

4. Chemical space as a source for new drugs;Reymond;Med. Chem. Comm.,2010

5. Setting the record straight: the origin of the pharmacophore concept;Güner;J. Chem. Inf. Model.,2014

Cited by 6 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. Elucidating the interaction mechanism of rice glutelin and soybean 11S globulin using multi-spectroscopy and molecular dynamics simulation methods;Food Chemistry;2024-06

2. In Silico Design, Synthesis, and Biological Evaluation of Anticancer Arylsulfonamide Endowed with Anti-Telomerase Activity;Pharmaceuticals;2022-01-10

3. A review on application of molecular simulation technology in food molecules interaction;Current Research in Food Science;2022

4. Immunoproteasome and Non-Covalent Inhibition: Exploration by Advanced Molecular Dynamics and Docking Methods;Molecules;2021-07-02

5. Hybrid Dynamic Pharmacophore Models as Effective Tools to Identify Novel Chemotypes for Anti-TB Inhibitor Design: A Case Study With Mtb-DapB;Frontiers in Chemistry;2020-12-02