Year |
Citation |
Score |
2023 |
Zaman N, Azam SS. Discrete Dynamics of Warhead Modulation on Covalent Inhibition of Oxyr: A QM/MM Study. The Journal of Physical Chemistry. B. PMID 37377002 DOI: 10.1021/acs.jpcb.2c07376 |
0.349 |
|
2023 |
Zaman N, Azam SS. Quantum Dynamics and Bi Metal Force Field Parameterization Yielding Significant Antileishmanial Targets. Journal of Chemical Information and Modeling. PMID 36730993 DOI: 10.1021/acs.jcim.2c01100 |
0.416 |
|
2022 |
Yousaf R, Navid A, Azam SS. Discovery of novel Glutaminase allosteric inhibitors through drug repurposing and comparative MMGB/PBSA and molecular dynamics simulation. Computers in Biology and Medicine. 146: 105669. PMID 35654625 DOI: 10.1016/j.compbiomed.2022.105669 |
0.354 |
|
2021 |
Navid A, Ahmad S, Sajjad R, Raza S, Azam SS. Structure Based in Silico Screening Revealed a Potent Acinetobacter baumannii Ftsz Inhibitor from Asinex Antibacterial Library. Ieee/Acm Transactions On Computational Biology and Bioinformatics. PMID 34375286 DOI: 10.1109/TCBB.2021.3103899 |
0.334 |
|
2021 |
Ahmed A, Zaman N, Azam SS. Deciphering the role of sulfonamides and molecular basis of thioredoxin domain dynamics through comparative simulations Journal of Molecular Liquids. 321: 114797. DOI: 10.1016/j.molliq.2020.114797 |
0.319 |
|
2020 |
Ahmad F, Shabaz Z, Azam SS. Insight into natural inhibitors and bridging docking to dynamic simulation against sugar Isomerase (SIS) domain protein. Journal of Molecular Modeling. 26: 221. PMID 32748070 DOI: 10.1007/S00894-020-04475-5 |
0.415 |
|
2020 |
Gulistan T, Ahmad S, Azam SS. Conformational transition of Acinetobacter baumannii KdsC enzyme and the role of magnesium in binding: An insight from comparative molecular dynamics simulation and its implications in novel antibiotics design. Journal of Molecular Graphics & Modelling. 99: 107625. PMID 32417725 DOI: 10.1016/j.jmgm.2020.107625 |
0.33 |
|
2020 |
Ahmad F, Azam SS. Role of ring positioning and preferential occupation of ligand obtained through molecular dynamics simulation of peptidoglycan associated lipoprotein (Pal). Journal of Molecular Graphics & Modelling. 98: 107585. PMID 32304985 DOI: 10.1016/J.Jmgm.2020.107585 |
0.399 |
|
2018 |
Ahmad S, Shaker B, Ahmad F, Raza S, Azam SS. Moleculer Dynamics Simulaiton Revealed Reciever Domain of Acinetobacter baumannii BfmR Enzyme as the Hot Spot for future Antibiotics Designing. Journal of Biomolecular Structure & Dynamics. 1-42. PMID 30043709 DOI: 10.1080/07391102.2018.1498805 |
0.319 |
|
2018 |
Ahmad S, Navid A, Akhtar AS, Azam SS, Wadood A, Pérez-Sánchez H. Subtractive Genomics, Molecular Docking and Molecular Dynamics Simulation Revealed LpxC as a Potential Drug Target Against Multi-Drug Resistant Klebsiella pneumoniae. Interdisciplinary Sciences, Computational Life Sciences. PMID 29721784 DOI: 10.1007/s12539-018-0299-y |
0.364 |
|
2018 |
Ahmad S, Raza S, Uddin R, Azam SS. Comparative subtractive proteomics based ranking for antibiotic targets against the dirtiest superbug: Acinetobacter baumannii. Journal of Molecular Graphics & Modelling. 82: 74-92. PMID 29705560 DOI: 10.1016/j.jmgm.2018.04.005 |
0.327 |
|
2018 |
Ahmad S, Raza S, Abro A, Liedl KR, Azam SS. Towards novel inhibitors against KdsB: A highly specific and selective broad-spectrum bacterial enzyme. Journal of Biomolecular Structure & Dynamics. 1-47. PMID 29606084 DOI: 10.1080/07391102.2018.1459318 |
0.517 |
|
2018 |
Raza S, Azam SS. AFD: an application for bi-molecular interaction using axial frequency distribution. Journal of Molecular Modeling. 24: 84. PMID 29511825 DOI: 10.1007/s00894-018-3601-3 |
0.379 |
|
2017 |
Ahmad S, Raza S, Uddin R, Azam SS. Binding mode analysis, dynamic simulation and binding free energy calculations of the MurF ligase from Acinetobacter baumannii. Journal of Molecular Graphics & Modelling. 77: 72-85. PMID 28843462 DOI: 10.1016/j.jmgm.2017.07.024 |
0.422 |
|
2017 |
Ul Haq F, Abro A, Raza S, Liedl KR, Azam SS. Molecular dynamics simulation studies of novel β-lactamase inhibitor. Journal of Molecular Graphics & Modelling. 74: 143-152. PMID 28432959 DOI: 10.1016/j.jmgm.2017.03.002 |
0.531 |
|
2016 |
Abbasi S, Raza S, Azam SS, Liedl KR, Fuchs JE. Interaction mechanisms of a melatonergic inhibitor in the melatonin synthesis pathway Journal of Molecular Liquids. 221: 507-517. DOI: 10.1016/j.molliq.2016.06.034 |
0.532 |
|
2015 |
Abbasi SW, Azam SS. Structural Characterization of Alpha-methylacyl-CoA Racemase: Comparative Structural Modeling, Molecular Docking and Dynamic Simulations Studies. Current Cancer Drug Targets. 15: 822-35. PMID 26567883 |
0.381 |
|
2015 |
Shamim A, Abbasi SW, Azam SS. Structural and dynamical aspects of Streptococcus gordonii FabH through molecular docking and MD simulations. Journal of Molecular Graphics & Modelling. 60: 180-96. PMID 26059477 DOI: 10.1016/j.jmgm.2015.05.013 |
0.44 |
|
2015 |
Azam SS, Abro A, Raza S. Binding pattern analysis and structural insight into the inhibition mechanism of Sterol 24-C methyltransferase by docking and molecular dynamics approach. Journal of Biomolecular Structure & Dynamics. 1-15. PMID 25669324 DOI: 10.1080/07391102.2014.1002423 |
0.315 |
|
2014 |
Azam SS, Sarfaraz S, Abro A. Comparative modeling and virtual screening for the identification of novel inhibitors for myo-inositol-1-phosphate synthase. Molecular Biology Reports. 41: 5039-52. PMID 24752405 DOI: 10.1007/s11033-014-3370-8 |
0.307 |
|
2014 |
Azam SS, Mirza AH. Role of thumb index fold in Wnt-4 protein and its dynamics through a molecular dynamics simulation study Journal of Molecular Liquids. 198: 313-321. DOI: 10.1016/J.MOLLIQ.2014.07.007 |
0.323 |
|
2013 |
Azam SS, Saroosh A, Zaman N, Raza S. Role of N-acetylserotonin O-methyltransferase in bipolar disorders and its dynamics Journal of Molecular Liquids. 182: 25-31. DOI: 10.1016/j.molliq.2013.03.008 |
0.335 |
|
2012 |
Saleem A, Azam SS, Zarina S. Docking and molecular dynamics simulation studies on glycation-induced conformational changes of human paraoxonase 1. European Biophysics Journal : Ebj. 41: 241-8. PMID 22193970 DOI: 10.1007/s00249-011-0779-z |
0.338 |
|
2012 |
Azam SS, Uddin R, Wadood A. Structure and dynamics of alpha-glucosidase through molecular dynamics simulation studies Journal of Molecular Liquids. 174: 58-62. DOI: 10.1016/j.molliq.2012.07.003 |
0.349 |
|
2010 |
Azam SS, Lim LH, Hofer TS, Randolf BR, Rode BM. Hydrated germanium (II): irregular structural and dynamical properties revealed by a quantum mechanical charge field molecular dynamics study. Journal of Computational Chemistry. 31: 278-85. PMID 19479764 DOI: 10.1002/jcc.21315 |
0.583 |
|
2009 |
Azam SS, Hofer TS, Bhattacharjee A, Lim LH, Pribil AB, Randolf BR, Rode BM. Beryllium(II): the strongest structure-forming ion in water? A QMCF MD simulation study. The Journal of Physical Chemistry. B. 113: 9289-95. PMID 19522491 DOI: 10.1021/jp903536k |
0.61 |
|
2009 |
Azam SS, Hofer TS, Randolf BR, Rode BM. Hydration of sodium(I) and potassium(I) revisited: a comparative QM/MM and QMCF MD simulation study of weakly hydrated ions. The Journal of Physical Chemistry. A. 113: 1827-34. PMID 19203258 DOI: 10.1021/jp8093462 |
0.576 |
|
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