In my last post I described how to check convergence of metadynamics simulation. However, the 1D free energy surface showed … More
Tag: molecular dynamics
tICA Metadynamics
Time-lagged independent component analysis is a dimensionality reduction technique which transforms a high dimensional dataset to lower dimensional co-ordinates. It’s … More
Possible new idea with tSNE
Dimensionality reduction is in the hurt of molecular dynamics simulations keeping in mind its importance in reducing the high-dimension data … More
MD study to understand the effect of T68A/N126Y mutations on CVB3 3C protease
One of the first paper which described the effect of T68A/N126Y double mutations got accepted recently in Molecular Biosystems. The … More
New manuscript accepted in Journal of Biomolecular Structure & Dynamics
One of our new manuscript which deals with effect of PR20 mutations on flap movement as well as conformational dynamics … More
Our paper on Plasmepsin
One of our recent paper entitled “Flap Dynamics of Plasmepsin Proteases: Proposed Parameters and Molecular Dynamics Insight” is published recently … More
Research Interests
Research Interests.
Publications
Publications.
Welcome to the homepage of Soumendranath Bhakat whose research interest is within the exciting field of biology, chemistry and computational … More
