2026
Assistant Professor
Dr. Jhashanath Adhikari Subin
Dr. Adhikari is a Principal investigator at Computational Chemistry Laboratory
+977 98620 79499
GI Building Room 203 MBUST, Chitlang, Makawanpur, Nepal
Education
PHD
Clark University, Worcester, Massachusetts 01610, USA
Computational modelling of niobates
2014
A.M
Washington University in St. Louis, St. Louis, Missouri 63130, USA
Material synthesis and characterization
2006
M.Sc
Tribhuvan University, Kirtipur, Kathmandu 44600, Nepal
Analytical chemistry
2000
Awards & Honors
- › Prof. Dr. Chhabi Lal Gajurel Chemistry Award (2024)
- › Merit Scholarship (1997)
- › Merit Scholarship (1999)
Research Areas
Virtual screening of large data-sets for capturing potential molecules capable of modulating a target protein for nutraceutical design (molecular docking, molecular dynamics simulations, free energy calculations)
Molecular dynamics simulation of clay minerals and additives for property optimization
Structural characterization of layered niobates and determination of solid-state NMR parameters by first principles calculations
Collaborative work- Quantum mechanical studies of various solvato-chromic systems (TD-DFT)
Collaborative work- Investigation of biocompatible composites applied in would healing by ab initio methods
Courses Taught
Masters, PhD.
Forest Biomaterials Science and Engineering
Publications
2026
Machine Learning-guided Virtual Screening and Molecular Dynamics Simulations for Identifying Potent FGFR1 Inhibitors as Anti-neoplastic Agents. Journal of Pharmaceutical Innovation 21, 260
2025
AI-assisted discovery of potent FGFR1 inhibitors via virtual screening and in silico analysis PloS ONE 20 (9), e0331837
2025
Evaluating the inhibitory efficacy of Oxalis phytocompounds on monoamine oxidase B: An integrated approach targeting age related neurodegenerative diseases through molecular docking and dynamics simulations PloS ONE 20 (7), e0329168
2025
Exploring Artocarpus heterophyllus phytochemicals as novel mineralocorticoid receptor inhibitors: A computational approach to hypertension therapy
2024