My research focus is computationally aided pharmaceutical drug discovery, with a specialization in free energy calculations using MMPBSA and MMGBSA methods. My work integrates advanced molecular dynamics simulations to explore biomolecular interactions and aid in drug design. In addition to my expertise in these computational techniques, I also develop AI-driven systems to enhance binding free energy computations, helping to streamline and optimize the drug development process. My research aims to leverage computational tools and AI to drive innovative solutions in pharmaceutical research.

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