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1.
Predicting virus Fitness: Towards a structure-based computational model.
J Struct Biol
; 215(4): 108042, 2023 12.
Article
in English
| MEDLINE | ID: mdl-37931730
2.
Stability and expression of SARS-CoV-2 spike-protein mutations.
Mol Cell Biochem
; 478(6): 1269-1280, 2023 Jun.
Article
in English
| MEDLINE | ID: mdl-36302994
3.
Structural heterogeneity and precision of implications drawn from cryo-electron microscopy structures: SARS-CoV-2 spike-protein mutations as a test case.
Eur Biophys J
; 51(7-8): 555-568, 2022 Dec.
Article
in English
| MEDLINE | ID: mdl-36167828
4.
Transcriptome analysis of Snow Mountain Garlic for unraveling the organosulfur metabolic pathway.
Genomics
; 112(1): 99-107, 2020 01.
Article
in English
| MEDLINE | ID: mdl-31356969
5.
Common mechanism of thermostability in small α- and ß-proteins studied by molecular dynamics.
Proteins
; 88(9): 1233-1250, 2020 09.
Article
in English
| MEDLINE | ID: mdl-32368818
6.
Systematic Investigation of the Data Set Dependency of Protein Stability Predictors.
J Chem Inf Model
; 60(10): 4772-4784, 2020 10 26.
Article
in English
| MEDLINE | ID: mdl-32786698
7.
Cryo-temperature effects on membrane protein structure and dynamics.
Phys Chem Chem Phys
; 22(10): 5427-5438, 2020 Mar 11.
Article
in English
| MEDLINE | ID: mdl-31971183
8.
Computational analysis of Alzheimer-causing mutations in amyloid precursor protein and presenilin 1.
Arch Biochem Biophys
; 678: 108168, 2019 12 15.
Article
in English
| MEDLINE | ID: mdl-31697913
9.
Contribution of substrate reorganization energies of electron transfer to laccase activity.
Phys Chem Chem Phys
; 21(28): 15805-15814, 2019 Jul 17.
Article
in English
| MEDLINE | ID: mdl-31282513
10.
Cell size effects in the molecular dynamics of the intrinsically disordered Aß peptide.
J Chem Phys
; 151(8): 085101, 2019 Aug 28.
Article
in English
| MEDLINE | ID: mdl-31470695
11.
Benzothiazole Derivative as a Novel Mycobacterium tuberculosis Shikimate Kinase Inhibitor: Identification and Elucidation of Its Allosteric Mode of Inhibition.
J Chem Inf Model
; 56(5): 930-40, 2016 05 23.
Article
in English
| MEDLINE | ID: mdl-27149193
12.
Screening of antitubercular compound library identifies novel shikimate kinase inhibitors of Mycobacterium tuberculosis.
Appl Microbiol Biotechnol
; 100(12): 5415-26, 2016 Jun.
Article
in English
| MEDLINE | ID: mdl-26887318
13.
Identification and characterization of novel small molecule inhibitors of the acetyltransferase activity of Escherichia coli N-acetylglucosamine-1-phosphate-uridyltransferase/glucosamine-1-phosphate-acetyltransferase (GlmU).
Appl Microbiol Biotechnol
; 100(7): 3071-85, 2016 Apr.
Article
in English
| MEDLINE | ID: mdl-26563552
14.
Discovery of new Mycobacterium tuberculosis proteasome inhibitors using a knowledge-based computational screening approach.
Mol Divers
; 19(4): 1003-19, 2015 11.
Article
in English
| MEDLINE | ID: mdl-26232029
15.
Computational Insight into Substrate-Induced Conformational Changes in Methionyl-tRNA Synthetase of Mycobacterium Tuberculosis.
Protein J
; 42(5): 533-546, 2023 10.
Article
in English
| MEDLINE | ID: mdl-37402109
16.
Modelling SARS-CoV-2 spike-protein mutation effects on ACE2 binding.
J Mol Graph Model
; 119: 108379, 2023 03.
Article
in English
| MEDLINE | ID: mdl-36481587
17.
Capsaicin, a novel inhibitor of the NorA efflux pump, reduces the intracellular invasion of Staphylococcus aureus.
J Antimicrob Chemother
; 67(10): 2401-8, 2012 Oct.
Article
in English
| MEDLINE | ID: mdl-22807321
18.
Structure and Mutations of SARS-CoV-2 Spike Protein: A Focused Overview.
ACS Infect Dis
; 8(1): 29-58, 2022 01 14.
Article
in English
| MEDLINE | ID: mdl-34856799
19.
Erratum to: Discovery of new Mycobacterium tuberculosis proteasome inhibitors using a knowledge-based computational screening approach.
Mol Divers
; 20(1): 367, 2016 Feb.
Article
in English
| MEDLINE | ID: mdl-26498122
20.
Computational prediction and molecular mechanism of γ-secretase modulators.
Eur J Pharm Sci
; 157: 105626, 2021 Feb 01.
Article
in English
| MEDLINE | ID: mdl-33115674