Quantum Mechanical-Cluster Approach to Solve the Bioisosteric Replacement Problem in Drug Design-Reference-Cited by-同舟云学术

Quantum Mechanical-Cluster Approach to Solve the Bioisosteric Replacement Problem in Drug Design

Published:2023-02-10 Issue:4 Volume:63 Page:1239-1248
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Losev Timofey V.¹²³^ORCID,Gerasimov Igor S.¹⁴,Panova Maria V.¹^ORCID,Lisov Alexey A.¹,Abdyusheva Yana R.¹⁵,Rusina Polina V.¹,Zaletskaya Eugenia¹⁵,Stroganov Oleg V.⁶,Medvedev Michael G.¹^ORCID,Novikov Fedor N.¹⁵

Affiliation:

1. N.D. Zelinsky Institute of Organic Chemistry of Russian Academy of Sciences, Leninsky prospect 47, 119991 Moscow, Russian Federation

2. Department of Chemistry, Lomonosov Moscow State University, Leninskie Gory 1/3, 119991 Moscow, Russian Federation

3. A.N. Nesmeyanov Institute of Organoelement Compounds of Russian Academy of Sciences, Vavilov Str. 28, 119991 Moscow, Russian Federation

4. Department of Chemistry, Kyungpook National University, Daegu 41566, South Korea

5. National Research University Higher School of Economics, Myasnitskaya Street 20, 101000 Moscow, Russian Federation

6. BioMolTech Corp., 226 York Mills Rd, Toronto, Ontario M2L 1L1, Canada

Funder

Russian Science Foundation

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.2c01212

Reference50 articles.

1. The compromise of virtual screening and its impact on drug discovery

2. Molecular Docking: Shifting Paradigms in Drug Discovery

3. Basic ingredients of free energy calculations: A review

4. Free Energy Methods in Drug Design: Prospects of “Alchemical Perturbation” in Medicinal Chemistry

5. Progress in Free Energy Perturbation: Options for Evolving Fragments

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