Jeevan Patra

MOLECULAR INSIGHTS INTO BINDING BEHAVIOUR OF LAMOTRIGINE WITH INITIATION FACTOR 2 PROTEIN: AN INTEGRATED COMPUTATIONAL STUDIES

The paper identifies active residues on IF2 protein that interact with lamotrigine using computational methods, showing stronger binding affinity at a new site compared to domain II.

Molecular Dynamics Simulations Studies On The Effects Of Mutations On The Binding Affinities Between SARS-CoV-2 Spike RBD And Human ACE2

The paper uses molecular dynamics simulations to study how mutations in SARS-CoV-2 spike RBD affect binding affinity to hACE2, finding that variants like L452R, T478K, and E484Q increase binding affinity and transmissibility.