Computational screening of medicinal plant phytochemicals to discover potent pan-serotype inhibitors against dengue virus M Tahir ul Qamar, A Maryam, I Muneer, F Xing, UA Ashfaq, FA Khan, ... Scientific reports 9 (1), 1433, 2019 | 108 | 2019 |
The molecular organization of human cGMP specific phosphodiesterase 6 (PDE6): structural implications of somatic mutations in cancer and retinitis pigmentosa A Maryam, SC Vedithi, RR Khalid, AF Alsulami, PHM Torres, AR Siddiqi, ... Computational and structural biotechnology journal 17, 378-389, 2019 | 22 | 2019 |
Comparative studies of the dynamics effects of BAY60-2770 and BAY58-2667 binding with human and bacterial H-NOX domains RR Khalid, MT ul Qamar, A Maryam, A Ashique, F Anwar, MH Geesi, ... Molecules: A Journal of Synthetic Chemistry and Natural Product Chemistry 23 (9), 2018 | 19 | 2018 |
E-pharmacophore based virtual screening for identification of dual specific PDE5A and PDE3A inhibitors as potential leads against cardiovascular diseases A Maryam, RR Khalid, AR Siddiqi, A Ece Journal of Biomolecular Structure and Dynamics 39 (7), 2302-2317, 2021 | 14 | 2021 |
Decreased serum PON1 arylesterase activity in familial hypercholesterolemia patients with a mutated LDLR gene M Idrees, AR Siddiqi, M Ajmal, M Akram, RR Khalid, A Hussain, R Qamar, ... Genetics and Molecular Biology 41, 570-577, 2018 | 13 | 2018 |
Statistical analysis of risk factors affecting the prognosis of biliary atresia in infants A Maryam, S Aslam, S Saif, T Aslam, K Tusleem, MT Qamar, I Abdullah, ... Matrix Science Pharma 1 (2), 20-24, 2017 | 12 | 2017 |
Design, synthesis, characterization and computational docking studies of novel sulfonamide derivatives H Saleem, A Maryam, SA Bokhari, A Ashiq, SA Rauf, RR Khalid, ... EXCLI journal 17, 169, 2018 | 11 | 2018 |
A three-dimensional active biochar for sintering in steel industry and remove methylene blue by synergistic activation of H3PO4 and ZnCl2 Y Zhang, B Shen, MS Ahmad, W Zhou, RR Khalid, M Ibrahim, A Bokhari Fuel 336, 127079, 2023 | 9 | 2023 |
Probing the structural dynamics of the catalytic domain of human soluble guanylate cyclase RR Khalid, A Maryam, OU Sezerman, E Mylonas, AR Siddiqi, ... Scientific reports 10 (1), 9488, 2020 | 9 | 2020 |
Exploring the structural basis of conformational heterogeneity and autoinhibition of human cGMP-specific protein kinase Iα through computational modelling and molecular … A Maryam, RR Khalid, SC Vedithi, ECE Abdulilah, SS Çınaroğlu, ... Computational and Structural Biotechnology Journal 18, 1625-1638, 2020 | 9 | 2020 |
Cryo-EM density map fitting driven in-silico structure of human soluble guanylate cyclase (hsGC) reveals functional aspects of inter-domain cross talk upon NO binding RR Khalid, A Maryam, VE Fadouloglou, AR Siddiqi, Y Zhang Journal of Molecular Graphics and Modelling 90, 109-119, 2019 | 8 | 2019 |
Tahir ul Qamar M., Maryam A., Ashique A., Anwar FH, Geesi M., Siddiqi AR Comparative Studies of the Dynamics Effects of BAY60-2770 and BAY58-2667 Binding with Human and … R Rehan Khalid Molecules 23 (2141), 10.3390, 2018 | 7 | 2018 |
Dynamic characterization of the human heme nitric oxide/oxygen (HNOX) domain under the influence of diatomic gaseous ligands RR Khalid, AR Siddiqi, E Mylonas, A Maryam, M Kokkinidis International journal of molecular sciences 20 (3), 698, 2019 | 6 | 2019 |
Effect of nickel on different physiological parameters of Raphanus sativus H Rafeeq, MA Arshad, SF Amjad, MH Ullah, HM Imran, R Khalid, ... Int J Sci Res Publ 10, 9702, 2020 | 5 | 2020 |
Development of a tool for the analysis of plant stress proteins M Ali, RR Khalid, M Nawaz, N Qamar International Journal Bioautomation 15 (4), 261, 2011 | 3 | 2011 |
Identification of selective inhibitors for phosphodiesterase 5A using e-pharmacophore modelling and large-scale virtual screening-based structure guided drug discovery approaches A Maryam, AR Siddiqi, S Chaitanya Vedithi, A Ece, RR Khalid Journal of Biomolecular Structure and Dynamics, 1-16, 2023 | 2 | 2023 |
Functional annotation of the cda1 gene from Bacillus thuringiensis through homology modeling and molecular docking M Ali, MA Mehmood, K Hussain, U Sehar, RR Khalid, Z Iqbal Pak. J. Life Soc. Sci 11, 190-195, 2013 | 2 | 2013 |
A recursive molecular docking coupled with energy-based pose-rescoring and MD simulations to identify hsGC βH-NOX allosteric modulators for cardiovascular … RR Khalid, A Maryam, SS Çınaroğlu, AR Siddiqi, OU Sezerman Journal of Biomolecular Structure and Dynamics 40 (13), 6128-6150, 2022 | 1 | 2022 |
Physicochemical Characterization and Antioxidant Activity of Extract of Epimedium Grandiflorum N ASIF, S AMJAD, K HUSSAIN, M SALMAN, F QURESHI, NI BUKHARI, ... Journal of Pharmacy and Chemistry, 2016 | 1 | 2016 |
Leveraging Shape Screening and Molecular Dynamics Simulations to Optimize PARP1-Specific Chemo/Radio-Potentiators for Antitumor Drug Design H Khizer, A Maryam, A Ansari, MS Ahmad, RR Khalid Archives of Biochemistry and Biophysics, 110010, 2024 | | 2024 |