Dynamic Characterization of the Human Heme Nitric Oxide/Oxygen (HNOX) Domain under the Influence of Diatomic Gaseous Ligands

by Rana Rehan Khalid, Abdul Rauf Siddiqi, Efstratios Mylonas, Arooma Maryam, Michael Kokkinidis
Published 2019-02-01

Exploring the structural basis of conformational heterogeneity and autoinhibition of human cGMP-specific protein kinase Iα through computational modelling and molecular dynamics si...

by Arooma Maryam, Rana Rehan Khalid, Sundeep Chaitanya Vedithi, Abdulilah ECE, Suleyman Selim Çınaroğlu, Abdul Rauf Siddiqi, Tom L. Blundell
Published 2020-01-01

Anticancer screening of medicinal plant phytochemicals against Cyclin-Dependent Kinase-2 (CDK2): An in-silico approach

by Wajahat Khan, Usman Ali Ashfaq, Sadia Aslam, Sidra Saif, Tehzeeb Aslam, Kishver Tusleem, Arooma Maryam, Muhammad Tahir ul Qamar
Published 2017-08-01

Comparative Studies of the Dynamics Effects of BAY60-2770 and BAY58-2667 Binding with Human and Bacterial H-NOX Domains

by Rana Rehan Khalid, Muhammad Tahir ul Qamar, Arooma Maryam, Ayesha Ashique, Farooq Anwar, Mohammed H. Geesi, Abdul Rauf Siddiqi
Published 2018-08-01

The Molecular Organization of Human cGMP Specific Phosphodiesterase 6 (PDE6): Structural Implications of Somatic Mutations in Cancer and Retinitis Pigmentosa

by Arooma Maryam, Sundeep Chaitanya Vedithi, Rana Rehan Khalid, Ali F. Alsulami, Pedro Henrique Monteiro Torres, Abdul Rauf Siddiqi, Tom L. Blundell
Published 2019-01-01

Peptide vaccine against chikungunya virus: immuno-informatics combined with molecular docking approach

by Muhammad Tahir ul Qamar, Amna Bari, Muhammad Muzammal Adeel, Arooma Maryam, Usman Ali Ashfaq, Xiaoyong Du, Iqra Muneer, Hafiz Ishfaq Ahmad, Jia Wang
Published 2018-10-01