Daniel J Mermelstein
4PUBLICATIONS
1CO-AUTHORS
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Publications (4)
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|Jun 05, 2025
Solvation and formal charge corrections to the Piecewise-Linear Potential.Daniel K Gehlhaar, Daniel J Mermelstein
|Aug 16, 2024
FitScore: a fast machine learning-based score for 3D virtual screening enrichment.Daniel K Gehlhaar, Daniel J Mermelstein
|Sep 29, 2018
pH-dependent conformational dynamics of beta-secretase 1: A molecular dynamics study.Daniel J Mermelstein, J Andrew McCammon, Ross C Walker
|Mar 14, 2018
Fast and flexible gpu accelerated binding free energy calculations within the amber molecular dynamics package.Daniel J Mermelstein, Charles Lin, Gard Nelson
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