Mononuclear Tricoordinate Copper(I) and Silver(I) Halide Complexes of a Sterically Bulky Thiourea Ligand and a Computational Insight of Their Interaction with Human Insulin

por Noor, Awal, Qayyum, Sadaf, Jabeen, Farukh, Rehman, Ashfaq Ur
Publicado 2022

Toward the Noninvasive Diagnosis of Alzheimer’s Disease: Molecular Basis for the Specificity of Curcumin for Fibrillar Amyloid-β

por Khurshid, Beenish, Rehman, Ashfaq Ur, Muhammad, Shabbir, Wadood, Abdul, Anwar, Jamshed
Publicado 2022

Bioengineering and computational analysis of programmed cell death ligand-1 monoclonal antibody

por Kalim, Muhammad, Ali, Hamid, Rehman, Ashfaq Ur, Lu, Yong, Zhan, Jinbiao
Publicado 2022

Heparin-Assisted Amyloidogenesis Uncovered through Molecular Dynamics Simulations

por Khurshid, Beenish, Rehman, Ashfaq Ur, Luo, Ray, Khan, Alamzeb, Wadood, Abdul, Anwar, Jamshed
Publicado 2022

Laboratory Evolution of GH11 Endoxylanase Through DNA Shuffling: Effects of Distal Residue Substitution on Catalytic Activity and Active Site Architecture

por Liu, Ming-Qi, Li, Jia-Yi, Rehman, Ashfaq Ur, Xu, Xin, Gu, Zhu-Jun, Wu, Ruo-Chen
Publicado 2019

Structural and free energy landscape of novel mutations in ribosomal protein S1 (rpsA) associated with pyrazinamide resistance

por Khan, Muhammad Tahir, Khan, Abbas, Rehman, Ashfaq Ur, Wang, Yanjie, Akhtar, Khalid, Malik, Shaukat Iqbal, Wei, Dong-Qing
Publicado 2019

A Novel Approach to Develop New and Potent Inhibitors for the Simultaneous Inhibition of Protease and Helicase Activities of HCV NS3/4A Protease: A Computational Approach

por Riaz, Muhammad, Rehman, Ashfaq Ur, Waqas, Muhammad, Khalid, Asaad, Abdalla, Ashraf N., Mahmood, Arif, Hu, Junjian, Wadood, Abdul
Publicado 2023

Discovery of cryptic allosteric sites using reversed allosteric communication by a combined computational and experimental strategy

por Ni, Duan, Wei, Jiacheng, He, Xinheng, Rehman, Ashfaq Ur, Li, Xinyi, Qiu, Yuran, Pu, Jun, Lu, Shaoyong, Zhang, Jian
Publicado 2020

In-silico drug design for the novel Karachi-NF001 strain of brain-eating amoeba: Naegleria fowleri

por Saleem, Tayyab, Jamal, Syed Babar, Alzahrani, Badr, Basheer, Amina, Wajid Abbasi, Sumra, Ali, Mahwish, Rehman, Ashfaq Ur, Faheem, Muhammad
Publicado 2023

A unique amphiphilic triblock copolymer, nontoxic to human blood and potential supramolecular drug delivery system for dexamethasone

por Mushtaq, Irrum, Akhter, Zareen, Farooq, Muhammad, Jabeen, Farukh, Rehman, Ashfaq Ur, Rehman, Sadia, Ayub, Sidra, Mirza, Bushra, Siddiq, Muhammad, Zaman, Farasat
Publicado 2021

Zinc binding regulates amyloid-like aggregation of GAPR-1

por Sheng, Jie, Olrichs, Nick K., Geerts, Willie J., Li, Xueyi, Rehman, Ashfaq Ur, Gadella, Barend M., Kaloyanova, Dora V., Helms, J. Bernd
Publicado 2019

Activation pathway of a G protein-coupled receptor uncovers conformational intermediates as targets for allosteric drug design

por Lu, Shaoyong, He, Xinheng, Yang, Zhao, Chai, Zongtao, Zhou, Shuhua, Wang, Junyan, Rehman, Ashfaq Ur, Ni, Duan, Pu, Jun, Sun, Jinpeng, Zhang, Jian
Publicado 2021

N-Aryl-3,4-dihydroisoquinoline Carbothioamide Analogues as Potential Urease Inhibitors

por Ali, Fayaz, Shamim, Shahbaz, Lateef, Mehreen, Khan, Khalid Mohammed, Taha, Muhammad, Salar, Uzma, Wadood, Abdul, Rehman, Ashfaq Ur, Nawaz, Noor Ul Ain, Perveen, Shahnaz
Publicado 2021

Identification of novel inhibitors for SARS-CoV-2 as therapeutic options using machine learning-based virtual screening, molecular docking and MD simulation

por Samad, Abdus, Ajmal, Amar, Mahmood, Arif, Khurshid, Beenish, Li, Ping, Jan, Syed Mansoor, Rehman, Ashfaq Ur, He, Pei, Abdalla, Ashraf N., Umair, Muhammad, Hu, Junjian, Wadood, Abdul
Publicado 2023

IDDB: a comprehensive resource featuring genes, variants and characteristics associated with infertility

por Wu, Jing, Li, Danjun, Liu, Xinyi, Li, Qian, He, Xinheng, Wei, Jiale, Li, Xinyi, Li, Mingyu, Rehman, Ashfaq Ur, Xia, Yujia, Wu, Chengwei, Zhang, Jian, Lu, Xuefeng
Publicado 2020

Xanthine oxidase inhibitory study of eight structurally diverse phenolic compounds

por Mehmood, Arshad, Li, Jiayi, Rehman, Ashfaq Ur, Kobun, Rovina, Llah, Inam U, Khan, Imran, Althobaiti, Fayez, Albogami, Sarah, Usman, Muhammad, Alharthi, Fahad, Soliman, Mohamed Mohamed, Yaqoob, Sanabil, Awan, Kanza Aziz, Zhao, Liang, Zhao, Lei
Publicado 2022