Takip et
M. Qaiser Fatmi
M. Qaiser Fatmi
Professor/Biosciences Department, COMSATS University Islamabad
comsats.edu.pk üzerinde doğrulanmış e-posta adresine sahip - Ana Sayfa
Başlık
Alıntı yapanlar
Alıntı yapanlar
Yıl
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
1582015
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
902011
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
832015
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
822005
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
662016
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
442015
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
442010
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
392016
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
352010
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
332010
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
282010
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
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
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
222022
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
22*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
202015
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
192006
Temperature Effects on the Structural and Dynamical Properties of the Zn (II)− Water Complex in Aqueous Solution: A QM/MM Molecular Dynamics Study
MQ Fatmi, TS Hofer, BR Randolf, BM Rode
The Journal of Physical Chemistry B 110 (1), 616-621, 2006
182006
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