Binding mode analysis, dynamic simulation and binding free energy calculations of the MurF ligase from Acinetobacter baumannii S Ahmad, S Raza, R Uddin, SS Azam Journal of Molecular Graphics and Modelling 77, 72-85, 2017 | 99 | 2017 |
Molecular dynamics simulation studies of novel β-lactamase inhibitor FU Haq, A Abro, S Raza, KR Liedl, SS Azam Journal of Molecular Graphics and Modelling 74, 143-152, 2017 | 61 | 2017 |
Interaction mechanisms of a melatonergic inhibitor in the melatonin synthesis pathway SW Abbasi, S Raza, SS Azam, KR Liedl, JE Fuchs Journal of Molecular Liquids 221, 507-517, 2016 | 53 | 2016 |
Comparative subtractive proteomics based ranking for antibiotic targets against the dirtiest superbug: Acinetobacter baumannii S Ahmad, S Raza, R Uddin, SS Azam Journal of Molecular Graphics and Modelling 82, 74-92, 2018 | 44 | 2018 |
A one-pot multicomponent facile synthesis of dihydropyrimidin-2 (1 H)-thione derivatives using triphenylgermane as a catalyst and its binding pattern validation S Andleeb, MK Rauf, SS Azam, A Badshah, H Sadaf, A Raheel, MN Tahir, ... RSC Advances 6 (83), 79651-79661, 2016 | 44 | 2016 |
Improvement in thermostability of xylanase from Geobacillus thermodenitrificans C5 by site directed mutagenesis M Irfan, CF Gonzalez, S Raza, M Rafiq, F Hasan, S Khan, AA Shah Enzyme and microbial technology 111, 38-47, 2018 | 42 | 2018 |
Toward novel inhibitors against KdsB: a highly specific and selective broad-spectrum bacterial enzyme S Ahmad, S Raza, A Abro, KR Liedl, SS Azam Journal of Biomolecular Structure and Dynamics 37 (5), 1326-1345, 2019 | 36 | 2019 |
Structure and dynamics studies of sterol 24-C-methyltransferase with mechanism based inactivators for the disruption of ergosterol biosynthesis SS Azam, A Abro, S Raza, A Saroosh Molecular biology reports 41, 4279-4293, 2014 | 36 | 2014 |
AFD: an application for bi-molecular interaction using axial frequency distribution S Raza, SS Azam Journal of Molecular Modeling 24, 1-8, 2018 | 30 | 2018 |
Binding pattern analysis and structural insight into the inhibition mechanism of Sterol 24-C methyltransferase by docking and molecular dynamics approach SS Azam, A Abro, S Raza Journal of Biomolecular Structure and Dynamics 33 (12), 2563-2577, 2015 | 26 | 2015 |
Role of N-acetylserotonin O-methyltransferase in bipolar disorders and its dynamics SS Azam, A Saroosh, N Zaman, S Raza Journal of Molecular Liquids 182, 25-31, 2013 | 25 | 2013 |
Visualizing protein–ligand binding with chemical energy-wise decomposition (CHEWD): Application to ligand binding in the kallikrein-8 S1 Site S Raza, KE Ranaghan, MW van der Kamp, CJ Woods, AJ Mulholland, ... Journal of Computer-Aided Molecular Design 33, 461-475, 2019 | 21 | 2019 |
Screening pipeline for Flavivirus based inhibitors for Zika virus NS1 S Raza, G Abbas, SS Azam IEEE/ACM transactions on computational biology and bioinformatics 17 (5 …, 2019 | 21 | 2019 |
Identification of natural inhibitors against Acinetobacter baumanniid-alanine-d-alanine ligase enzyme: A multi-spectrum in silico approach S Ahmad, S Raza, SW Abbasi, SS Azam Journal of Molecular Liquids 262, 460-475, 2018 | 14 | 2018 |
From phylogeny to protein dynamics: A computational hierarchical quest for potent drug identification against an emerging enteropathogen “Yersinia enterocolitica” S Ahmad, S Raza, R Uddin, T Rungrotmongkol, SS Azam Journal of Molecular Liquids 265, 372-389, 2018 | 13 | 2018 |
Subtractive proteomics revealed plausible drug candidates in the proteome of multi-drug resistant Corynebacterium diphtheriae Z Khalid, S Ahmad, S Raza, SS Azam Meta Gene 17, 34-42, 2018 | 10 | 2018 |
The Vitality of Swivel Domain Motion in Performance of Enzyme I of Phosphotransferase System; A Comprehensive Molecular Dynamic Study S Raza, G Sanober, T Rungrotmongkol, SS Azam Journal of Molecular Liquids 242, 1184-1198, 2017 | 10 | 2017 |
Lignin Nanoparticle Morphology Depends on Polymer Properties and Solvent Composition: an Experimental and Computational Study RC Andeme Ela, S Raza, PA Heiden, JV Vermaas, RG Ong ACS Applied Polymer Materials 4 (10), 6925-6935, 2022 | 9 | 2022 |
Structure Based in Silico Screening Revealed a Potent Acinetobacter Baumannii Ftsz Inhibitor From Asinex Antibacterial Library A Navid, S Ahmad, R Sajjad, S Raza, SS Azam IEEE/ACM Transactions on Computational Biology and Bioinformatics 19 (5 …, 2021 | 9 | 2021 |
Moleculer dynamics simulaiton revealed reciever domain of Acinetobacter baumannii BfmR enzyme as the hot spot for future antibiotics designing S Ahmad, B Shaker, F Ahmad, S Raza, SS Azam Journal of Biomolecular Structure and Dynamics 37 (11), 2897-2912, 2019 | 9 | 2019 |