List of works - Agastya P Bhati - Paulina

List of works by Agastya P Bhati

Pandemic drugs at pandemic speed: infrastructure for accelerating COVID-19 drug discovery with hybrid machine learning- and physics-based simulations on high-performance computers

scientific article published in 2021

Rapid, Accurate, Precise, and Reliable Relative Free Energy Prediction Using Ensemble Based Thermodynamic Integration

scientific article published on 20 December 2016

Rapid, accurate, precise and reproducible ligand-protein binding free energy prediction

scientific article published on 16 October 2020

Scalable HPC & AI infrastructure for COVID-19 therapeutics

scientific article published on 26 August 2021

Uncertainty Quantification in Alchemical Free Energy Methods

scientific article published on 02 May 2018

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