Inhibition of IRF3-STING axis interaction in silicosis using natural compounds: an in-silico study using molecular docking, ADMET, molecular dynamics and MMPBSA approach.

Autor: Sood, Ashita, Kulharia, Mahesh

Publikováno v: In Silico Pharmacology; 12/9/2024, Vol. 13 Issue 1, p1-21, 21p

Structural Distortion of β‑Cyclodextrin Plays a Key Role in the pH-dependent Host–Guest Chemistry with Doxorubicin, Evident by the Electrochemical and Molecular Dynamics Approach.

Autor: Nayak, Jyotsnamayee, Sood, Ashita, Kulharia, Mahesh, Sahoo, Suban K., Kumar, Rajender

Publikováno v: Journal of Chemical Information & Modeling; 5/22/2023, Vol. 63 Issue 10, p2975-2982, 8p

Geometrical and electro-static determinants of protein-protein interactions.

Autor: Kumar V; Department of Computational Sciences, School of Basic and Applied Sciences, CentralUniversity of Punjab, Bathinda, India, 151001., Sood A; Centre for Computational Biology and Bioinformatics, School of Life Sciences, Central University of Himachal Pradesh, Kangra, India, 176206., Munshi A; Department of Human Genetics and Molecular Medicine, School of Health Sciences, Central University of Punjab, Bathinda, India, 151001., Gautam T; Department of Zoology, Kalindi College, University of Delhi , Delhi, India., Kulharia M; Centre for Computational Biology and Bioinformatics, School of Life Sciences, Central University of Himachal Pradesh, Kangra, India, 176206.

Publikováno v: Bioinformation [Bioinformation] 2021 Oct 31; Vol. 17 (10), pp. 851-860. Date of Electronic Publication: 2021 Oct 31 (Print Publication: 2021).