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Update about.md
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anandojha authored May 14, 2024
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Expand Up @@ -36,7 +36,7 @@ The QMrebind method improves the accuracy of multiscale milestoning simulations

### Publications

<medium> Anupam Anand Ojha, Lane William Votapka, and Rommie Amaro. "QMrebind: Incorporating quantum mechanical force field reparameterization at the ligand binding site for improved drug-target kinetics through milestoning simulations." *Chemical Science, RSC; 2023;* [DOI: 10.1039/D3SC04195F](https://doi.org/10.1039/D3SC04195F).
<small> Anupam Anand Ojha, Lane William Votapka, and Rommie Amaro. "QMrebind: Incorporating quantum mechanical force field reparameterization at the ligand binding site for improved drug-target kinetics through milestoning simulations." *Chemical Science, RSC; 2023;* [DOI: 10.1039/D3SC04195F](https://doi.org/10.1039/D3SC04195F).

### ii. DeepWEST: Deep Learning of Kinetic Models with the Weighted Ensemble Simulation Toolkit for Enhanced Sampling

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