Sudarshan Behera on LinkedIn: Lipase A from Bacillus subtilis: Substrate Binding, Conformational…

Molecular Dynamics, Alchemical Free Energy Calculations, Protein-Ligand Interactions

11mo

Substrate induces favourable structural and dynamical changes in enzymes (Lipase A)—the last paper from my PhD thesis in @JCIM_JCTC. #compchem #moleculardynamics #freeenergy https://lnkd.in/eepnZNdD

Lipase A from Bacillus subtilis: Substrate Binding, Conformational Dynamics, and Signatures of a Lid

7 Comments

ICMR-RA at Indian Institute of Chemical Biology with expertise in Computer-aided Drug Design (CADD)

11mo

Can you share this one? Thanks in advance.

Assistant Professor, Bioinformatics

11mo

Many congratulations for the nice work 👏 Can you share the authors copy of the article

BITS-Pilani | Ex-Intern @ IISc, CSIR-CDRI

11mo

Congratulations Sudarshan Behera!! Very insightful