About
With a Ph.D. in Chemistry and extensive experience spanning over eight years in computational chemistry, I specialize in driving computer aided drug discovery through the integration of quantum mechanics, molecular dynamics (MD), and AI-based methodologies. My career is marked by a proven track record in applying GPU-accelerated MD simulations, free energy perturbation methods, and developing computational models to address critical challenges in drug discovery.
At the core of my expertise is a deep proficiency in quantum chemistry and molecular dynamics simulations, where my contributions have significantly advanced molecular modeling hypotheses and drug discovery endeavors. My collaborative spirit shines in multidisciplinary projects, working seamlessly with ML experts, software engineers, and a broad spectrum of scientists to pioneer groundbreaking solutions.
My technical skills include the following:
Quantum Chemistry codes: Gaussian, Orca, Gamess-US
Molecular Dynamics: Amber, Gromacs
Monte Carlo: ROSETTA
Machine learning software: Alphafold, ESMfold, Omegafold, Alphamissense, Equibind
Visualization software: Pymol, MOE, VMD, Chimera, Gaussview, Chemcraft, Avagadro,
Plotting software and data analysis: Origin, Gnuplot, Matlab
Programming languages: C++, Python, and BASH scripting
Operating systems: Linux, Windows and Mac
Deep learning: Alphafold, Alphamissense, Diffdock, Equibind, RF-diffusion, Protein MPNN
At the core of my expertise is a deep proficiency in quantum chemistry and molecular dynamics simulations, where my contributions have significantly advanced molecular modeling hypotheses and drug discovery endeavors. My collaborative spirit shines in multidisciplinary projects, working seamlessly with ML experts, software engineers, and a broad spectrum of scientists to pioneer groundbreaking solutions.
My technical skills include the following:
Quantum Chemistry codes: Gaussian, Orca, Gamess-US
Molecular Dynamics: Amber, Gromacs
Monte Carlo: ROSETTA
Machine learning software: Alphafold, ESMfold, Omegafold, Alphamissense, Equibind
Visualization software: Pymol, MOE, VMD, Chimera, Gaussview, Chemcraft, Avagadro,
Plotting software and data analysis: Origin, Gnuplot, Matlab
Programming languages: C++, Python, and BASH scripting
Operating systems: Linux, Windows and Mac
Deep learning: Alphafold, Alphamissense, Diffdock, Equibind, RF-diffusion, Protein MPNN