Vikas Dubey

Vikas Dubey
PhD Student

co-advised by Himanshu Khandelia

Department of Physics, Chemistry and Pharmacy
University of Southern Denmark
Campusvej 55, 5230 Odense M


Short CV

2011-2016: Integrated MS/Masters in Chemistry at the Indian Institute of Science Education and Research (IISER), Pune (India).
2017-2020: PhD in Computational Biophysics at University of southern Denmark (SDU), Denmark.


I am working on P-Type ATPases (a.k.a Ions Pumps) mostly with Na+/K+-ATPase (Sodium-Potassium Pump). I am interested in performing both Molecular Dynamics (MD) Simulations, free energy calculations and QM-Calculations to uncover the mystery behind ion-selectivity of these cellular machines, which enables them to transfer ions opposite to the concentration gradient across the cell.


K+ binding and proton redistribution in the E2P state of the H+, K+-ATPase, Vikas Dubey, Minwoo Han, Wojciech Kopec, Ilia A. Solov'yov, Kazuhiro Abe, Himanshu Khandelia, Scientific Reports, 8, 12732, (2018)
Estimating the Lipophobic Contributions in Model Membranes, Dubey, Vikas, Prasanna, Xavier, Sengupta, Durba, Journal of Physical Chemistry B, 121, 2111-2120, (2017)