Novel tumor necrosis factor-α (TNF-α) inhibitors from small molecule library screening for their therapeutic activity profiles against rheumatoid arthritis using target-driven approaches and binary QSAR models-Reference-Cited by-同舟云学术

Novel tumor necrosis factor-α (TNF-α) inhibitors from small molecule library screening for their therapeutic activity profiles against rheumatoid arthritis using target-driven approaches and binary QSAR models

Published:2018-12-23 Issue:9 Volume:37 Page:2464-2476
ISSN:0739-1102
Container-title:Journal of Biomolecular Structure and Dynamics
language:en
Short-container-title:Journal of Biomolecular Structure and Dynamics

Author:

Zaka Mehreen¹²,Abbasi Bilal Haider²^ORCID,Durdagi Serdar¹³^ORCID

Affiliation:

1. Department of Biophysics, School of Medicine, Computational Biology and Molecular Simulations Laboratory, Bahcesehir University (BAU), Istanbul, Turkey;

2. Department of Biotechnology, Quaid-i-Azam University, Islamabad, Pakistan;

3. Neuroscience Program, Institute of Health Sciences, Bahcesehir University, Istanbul, Turkey

Publisher

Informa UK Limited

Subject

Molecular Biology,General Medicine,Structural Biology

Link

https://www.tandfonline.com/doi/pdf/10.1080/07391102.2018.1491423

Reference61 articles.

1. Optimization of parameters for molecular dynamics simulation using smooth particle-mesh Ewald in GROMACS 4.5

2. Integrated Modeling Program, Applied Chemical Theory (IMPACT)

3. Very fast prediction and rationalization of pKa values for protein-ligand complexes