Collaborations

National Center for Cell Sciences, (NCCS), Pune

Simulation and docking studies on the SLUG zinc finger protein know to be involved in several cancers.

National Chemical Laboratory (NCL), Pune

Classical MD simulations on caffeic acid to understand its self-aggregation properties as well as interactions with bovine trypsin

ACTREC, Mumbai

Classical MD simulations performed on nucleosome complex with different histone variants.

Understanding the binding affinities between SFRP1CRD, SFRP1Netrin, Wnt5B and frizzled receptors 2, 3 and 7 using MD simulations

Savitribai Phule, Pune University, Pune

Docking studies of Zinc complex with lysosyme performed in collaboration with experiments performed at Chemistry Department

Lupin pharmaceuticals Ltd.

A Deep Dive into the Conformational Dynamics of CYP3A4: Understanding the Binding of Homotropic and Non‐homotropic Ligands for Mitigating Drug-Drug interaction (DDI)

Central council for Ayurvedic Research CCRAS (AYUSH)

Balchaturbhadra churna as a potential medicine for SARS-Cov2 infection in pediatric

Phytochemicals from AYUSH-64 screened against main protease and spike protein of Omicron variant of SARS-CoV-2 using ensemble docking approach