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1.
Determination of potential combination of non-ß-lactam, ß-lactam, and ß-lactamase inhibitors/ß-lactam enhancer against class D oxacillinases producing Acinetobacter baumannii: Evidence from in-vitro, molecular docking and dynamics simulation.
J Cell Biochem
; 124(7): 974-988, 2023 07.
Artículo
en Inglés
| MEDLINE | ID: mdl-37282600
2.
Deciphering the Role of Filamin B Calponin-Homology Domain in Causing the Larsen Syndrome, Boomerang Dysplasia, and Atelosteogenesis Type I Spectrum Disorders via a Computational Approach.
Molecules
; 25(23)2020 Nov 26.
Artículo
en Inglés
| MEDLINE | ID: mdl-33255942
3.
An integrative bioinformatics pipeline to demonstrate the alteration of the interaction between the ALDH2*2 allele with NAD+ and Disulfiram.
J Cell Biochem
; 120(10): 17030-17041, 2019 10.
Artículo
en Inglés
| MEDLINE | ID: mdl-31104322
4.
Structural analysis of missense mutations in galactokinase 1 (GALK1) leading to galactosemia type-2.
J Cell Biochem
; 119(9): 7585-7598, 2018 09.
Artículo
en Inglés
| MEDLINE | ID: mdl-29893426
5.
The targeted next-generation sequence revealed SMAD4, AKT1, and TP53 mutations from circulating cell-free DNA of breast cancer and its effect on protein structure - A computational approach.
J Biomol Struct Dyn
; 41(24): 15584-15597, 2023.
Artículo
en Inglés
| MEDLINE | ID: mdl-37011004
6.
Unravelling the Relacatib activity against the CTSK proteins causing pycnodysostosis: a molecular docking and dynamics approach.
J Biomol Struct Dyn
; : 1-12, 2023 May 31.
Artículo
en Inglés
| MEDLINE | ID: mdl-37255004
7.
A new horizon in the phosphorylated sites of AGA: the structural impact of C163S mutation in aspartylglucosaminuria through molecular dynamics simulation.
J Biomol Struct Dyn
; : 1-12, 2023 Jun 19.
Artículo
en Inglés
| MEDLINE | ID: mdl-37334725
8.
Computational Structural Validation of CYP2C9 Mutations and Evaluation of Machine Learning Algorithms in Predicting the Therapeutic Outcomes of Warfarin.
Curr Drug Metab
; 24(6): 466-476, 2023.
Artículo
en Inglés
| MEDLINE | ID: mdl-37409551
9.
Mutational landscape of K-Ras substitutions at 12th position-a systematic molecular dynamics approach.
J Biomol Struct Dyn
; 40(4): 1571-1585, 2022 03.
Artículo
en Inglés
| MEDLINE | ID: mdl-33034275
10.
Molecular dynamics simulations to decipher the structural and functional consequences of pathogenic missense mutations in the galactosylceramidase (GALC) protein causing Krabbe's disease.
J Biomol Struct Dyn
; 39(5): 1795-1810, 2021 Mar.
Artículo
en Inglés
| MEDLINE | ID: mdl-32186243
11.
Involvement of Essential Signaling Cascades and Analysis of Gene Networks in Diabesity.
Genes (Basel)
; 11(11)2020 10 25.
Artículo
en Inglés
| MEDLINE | ID: mdl-33113859
12.
First hybrid complete genome of Aeromonas veronii reveals chromosome-mediated novel structural variant mcr-3.30 from a human clinical sample.
Access Microbiol
; 2(4): acmi000103, 2020.
Artículo
en Inglés
| MEDLINE | ID: mdl-33005867
13.
Determining the role of missense mutations in the POU domain of HNF1A that reduce the DNA-binding affinity: A computational approach.
PLoS One
; 12(4): e0174953, 2017.
Artículo
en Inglés
| MEDLINE | ID: mdl-28410371
14.
Mechanism of artemisinin resistance for malaria PfATP6 L263 mutations and discovering potential antimalarials: An integrated computational approach.
Sci Rep
; 6: 30106, 2016 07 29.
Artículo
en Inglés
| MEDLINE | ID: mdl-27471101
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