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1.
Allostery and Missense Mutations as Intermittently Linked Promising Aspects of Modern Computational Drug Discovery.
J Mol Biol
; 434(17): 167610, 2022 09 15.
Artículo
en Inglés
| MEDLINE | ID: mdl-35490897
2.
Evolutionary progression of collective mutations in Omicron sub-lineages towards efficient RBD-hACE2: Allosteric communications between and within viral and human proteins.
Comput Struct Biotechnol J
; 20: 4562-4578, 2022.
Artículo
en Inglés
| MEDLINE | ID: mdl-35989699
3.
Deciphering Isoniazid Drug Resistance Mechanisms on Dimeric Mycobacterium tuberculosis KatG via Post-molecular Dynamics Analyses Including Combined Dynamic Residue Network Metrics.
ACS Omega
; 7(15): 13313-13332, 2022 Apr 19.
Artículo
en Inglés
| MEDLINE | ID: mdl-35474779
4.
Allosteric pockets and dynamic residue network hubs of falcipain 2 in mutations including those linked to artemisinin resistance.
Comput Struct Biotechnol J
; 19: 5647-5666, 2021.
Artículo
en Inglés
| MEDLINE | ID: mdl-34745456
5.
Novel dynamic residue network analysis approaches to study allosteric modulation: SARS-CoV-2 Mpro and its evolutionary mutations as a case study.
Comput Struct Biotechnol J
; 19: 6431-6455, 2021.
Artículo
en Inglés
| MEDLINE | ID: mdl-34849191
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