Sivakumar Dakshinamurthy

Dr. Sivakumar Dakshinamurthy is a Researcher at the Max Planck Institute for Dynamics of Complex Technical Systems, leading the Molecular Simulations and Design group. His research focuses on protein-protein/ligand interactions using molecular docking and simulation, as well as enzyme engineering employing QM/MM hybrid methods. He is affiliated with the institute’s Sandtorstr. 1, Magdeburg, Germany, and can be reached at sivakumar@dynamicsofcomplextechnicalsystems.mpg.de.

His work integrates computational approaches to address challenges in drug design, enzyme specificity, and sustainable chemistry. Current projects include AI-driven de novo drug design for acute myeloid leukemia and studies on SARS-CoV-2 protease inhibitors. His research also explores CO2 conversion via multienzyme systems and anticancer compound evaluation.

Dr. Dakshinamurthy’s contributions span over two decades, with notable publications on deubiquitinase specificity, Bcl-2 family proteins, and histidine kinase targeting in bacterial pathogens. He maintains active collaborations in structural bioinformatics and contributes to early career research panels on drug repurposing.

His office is located in S 1.11, and professional networks include LinkedIn.