SARS-COV-2 Mpro conformational changes induced by covalently bound ligands-Reference-Cited by-同舟云学术

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SARS-COV-2 Mpro conformational changes induced by covalently bound ligands

Published:2021-09-13 Issue: Volume: Page:1-11
ISSN:0739-1102
Container-title:Journal of Biomolecular Structure and Dynamics
language:en
Short-container-title:Journal of Biomolecular Structure and Dynamics

Author:

Ferreira Glaucio Monteiro¹²,Kronenberger Thales²³,Tonduru Arun Kumar³,Hirata Rosario Dominguez Crespo¹,Hirata Mario Hiroyuki¹,Poso Antti²³

Affiliation:

1. Department of Clinical and Toxicological Analyses, School of Pharmaceutical Sciences, University of São Paulo, São Paulo, Brazil

2. Department of Oncology and Pneumonology, Internal Medicine VIII, University Hospital Tübingen, Tübingen, Germany

3. School of Pharmacy, Faculty of Health Sciences, University of Eastern Finland, Kuopio, Finland

Funder

CNPq (

FAPESP

Publisher

Informa UK Limited

Subject

Molecular Biology,General Medicine,Structural Biology

Link

https://www.tandfonline.com/doi/pdf/10.1080/07391102.2021.1970626

Reference44 articles.

1. Role of the Active-Site Solvent in the Thermodynamics of Factor Xa Ligand Binding

2. Prediction of potential inhibitors of the dimeric SARS-CoV2 main proteinase through the MM/GBSA approach

3. Scaffold hopping

4. Molecular dynamics---Scalable algorithms for molecular dynamics simulations on commodity clusters

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4. The SARS-CoV-2 M^pro Dimer-Based Screening System: A Synthetic Biology Tool for Identifying Compounds with Dimerization Inhibitory Potential;ACS Synthetic Biology;2024-02-05

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