Markus A. Lill | DeepAI

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Amr H. Mahmoud
2 publications
Ahmadreza Ghanbarpour
1 publication
Soo Jung Lee
1 publication

research

∙ 02/23/2023

Accurate Free Energy Estimations of Molecular Systems Via Flow-based Targeted Free Energy Perturbation

The Targeted Free Energy Perturbation (TFEP) method aims to overcome the...

0 Soo Jung Lee, et al. ∙

research

∙ 01/07/2020

On-the-fly Prediction of Protein Hydration Densities and Free Energies using Deep Learning

The calculation of thermodynamic properties of biochemical systems typic...

0 Ahmadreza Ghanbarpour, et al. ∙