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M. Qaiser Fatmi
M. Qaiser Fatmi
Professor/Biosciences Department, COMSATS University Islamabad
Verified email at comsats.edu.pk - Homepage
Title
Cited by
Cited by
Year
Synthesis of novel inhibitors of α-glucosidase based on the benzothiazole skeleton containing benzohydrazide moiety and their molecular docking studies.
M Taha, NH Ismail, S Lalani, MQ Fatmi, Atia-tul-Wahab, S Siddiqui, ...
Eur. J. Med. Chem 92 (6), 387-400, 2015
1622015
X-ray and NMR crystallography in an enzyme active site: the indoline quinonoid intermediate in tryptophan synthase
J Lai, D Niks, Y Wang, T Domratcheva, TRM Barends, F Schwarz, ...
Journal of the American Chemical Society 133 (1), 4-7, 2011
932011
Synthesis of novel derivatives of oxindole, their urease inhibition and molecular docking studies
M Taha, NH Ismail, A Khan, SAA Shah, A Anwar, SA Halim, MQ Fatmi, ...
Bioorganic & Medicinal Chemistry Letters 25 (16), 3285-3289, 2015
872015
An extended ab initio QM/MM MD approach to structure and dynamics of Zn (II) in aqueous solution
MQ Fatmi, TS Hofer, BR Randolf, BM Rode
The Journal of chemical physics 123 (5), 2005
832005
Virtual screening of eighteen million compounds against dengue virus: Combined molecular docking and molecular dynamics simulations study
SB Mirza, RE Salmas, MQ Fatmi, S Durdagi
Journal of Molecular Graphics and Modelling 66, 99-107, 2016
682016
Atia-tul-Wahab, S. Siddiqui, KM Khan, S. Imran, MI Choudhary
M Taha, NH Ismail, S Lalani, MQ Fatmi
Eur. J. Med. Chem 92, 387-400, 2015
502015
The role of oligomerization and cooperative regulation in protein function: the case of tryptophan synthase
MQ Fatmi, CA Chang
PLoS computational biology 6 (11), e1000994, 2010
452010
Synthesis, in vitro and computational studies of 1, 4-disubstituted 1, 2, 3-triazoles as potential α-glucosidase inhibitors
F Jabeen, SA Shehzadi, MQ Fatmi, S Shaheen, L Iqbal, N Afza, SS Panda, ...
Bioorganic & Medicinal Chemistry Letters 26 (3), 1029-1038, 2016
442016
T-Analyst: a program for efficient analysis of protein conformational changes by torsion angles
R Ai, M Qaiser Fatmi, CA Chang
Journal of computer-aided molecular design 24, 819-827, 2010
362010
The stability of [Zn (NH 3) 4] 2+ in water: A quantum mechanical/molecular mechanical molecular dynamics study
MQ Fatmi, TS Hofer, BM Rode
Physical Chemistry Chemical Physics 12 (33), 9713-9718, 2010
362010
In vitro and in silico approaches for the evaluation of antimicrobial activity, time-kill kinetics, and anti-biofilm potential of thymoquinone (2-Methyl-5-propan-2-ylcyclohexa …
KA Qureshi, M Imtiaz, A Parvez, PK Rai, M Jaremko, AH Emwas, ...
Antibiotics 11 (1), 79, 2022
352022
Synergistic regulation and ligand-induced conformational changes of tryptophan synthase
MQ Fatmi, R Ai, CA Chang
Biochemistry 48 (41), 9921-9931, 2009
302009
Classical and QM/MM MD simulations of sodium (I) and potassium (I) ions in aqueous solution
SS Azam, MQ Fatmi
Journal of Molecular Liquids 153 (2-3), 95-100, 2010
292010
Stability of different Zinc (II)− diamine complexes in aqueous solution with respect to structure and dynamics: a QM/MM MD study
MQ Fatmi, TS Hofer, BR Randolf, BM Rode
The Journal of Physical Chemistry B 111 (1), 151-158, 2007
262007
Fungal transformation of cedryl acetate and α-glucosidase inhibition assay, quantum mechanical calculations and molecular docking studies of its metabolites.
MQF Sadia Sultan, M Iqbal Choudhary, Shamsun Nahar
Eur J Med Chem 8 (62C), 764-770, 2013
25*2013
Computational docking study of p7 ion channel from HCV genotype 3 and genotype 4 and its interaction with natural compounds
S Mathew, K Fatima, MQ Fatmi, G Archunan, M Ilyas, N Begum, E Azhar, ...
PLoS One 10 (6), e0126510, 2015
232015
Quantum mechanical charge field molecular dynamics simulation of the TiO2+ ion in aqueous solution
MQ Fatmi, TS Hofer, BR Randolf, BM Rode
Journal of Computational Chemistry 28 (10), 1704-1710, 2007
232007
Structure and dynamics of the [Zn (NH 3)(H 2 O) 5] 2+ complex in aqueous solution obtained by an ab initio QM/MM molecular dynamics study
MQ Fatmi, TS Hofer, BR Randolf, BM Rode
Physical Chemistry Chemical Physics 8 (14), 1675-1681, 2006
232006
A QM/MM MD simulation study of hydrated Pd2+
SAA Shah, TS Hofer, MQ Fatmi, BR Randolf, BM Rode
Chemical physics letters 426 (4-6), 301-305, 2006
222006
Structure-based virtual screening of tumor necrosis factor-α inhibitors by cheminformatics approaches and bio-molecular simulation
SA Halim, AG Sikandari, A Khan, A Wadood, MQ Fatmi, R Csuk, ...
Biomolecules 11 (2), 329, 2021
212021
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