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Daniel J Mermelstein

Showing results (1-10 of 6) with videos related to

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Journal of Computer-Aided Molecular Design|August 16, 2024
FitScore: a fast machine learning-based score for 3D virtual screening enrichmentDaniel K Gehlhaar, Daniel J Mermelstein
Journal of Computer-Aided Molecular Design|June 5, 2025
Solvation and formal charge corrections to the Piecewise-Linear PotentialDaniel K Gehlhaar, Daniel J Mermelstein
Journal of Molecular Recognition : JMR|September 29, 2018
pH-dependent conformational dynamics of beta-secretase 1: A molecular dynamics studyDaniel J Mermelstein, J Andrew McCammon, Ross C Walker
Journal of Molecular Biology|December 2, 2019
X-ray Crystallographic and Molecular Dynamic Analyses of Drosophila melanogaster Embryonic Muscle Myosin Define Domains Responsible for Isoform-Specific PropertiesJames T Caldwell, Daniel J Mermelstein, Ross C Walker, et al.
Journal of Computational Chemistry|March 14, 2018
Fast and flexible gpu accelerated binding free energy calculations within the amber molecular dynamics packageDaniel J Mermelstein, Charles Lin, Gard Nelson, et al.
Biophysical Journal|January 5, 2019
Mechanisms for Benzene Dissociation through the Excited State of T4 Lysozyme L99A MutantVictoria A Feher, Jamie M Schiffer, Daniel J Mermelstein, et al.
Pageof 1

Showing results (1-10 of 6) with videos related to

Sort By:
Pageof 1
Journal of Computer-Aided Molecular Design|August 16, 2024
FitScore: a fast machine learning-based score for 3D virtual screening enrichmentDaniel K Gehlhaar, Daniel J Mermelstein
Journal of Computer-Aided Molecular Design|June 5, 2025
Solvation and formal charge corrections to the Piecewise-Linear PotentialDaniel K Gehlhaar, Daniel J Mermelstein
Journal of Molecular Recognition : JMR|September 29, 2018
pH-dependent conformational dynamics of beta-secretase 1: A molecular dynamics studyDaniel J Mermelstein, J Andrew McCammon, Ross C Walker
Journal of Molecular Biology|December 2, 2019
X-ray Crystallographic and Molecular Dynamic Analyses of Drosophila melanogaster Embryonic Muscle Myosin Define Domains Responsible for Isoform-Specific PropertiesJames T Caldwell, Daniel J Mermelstein, Ross C Walker, et al.
Journal of Computational Chemistry|March 14, 2018
Fast and flexible gpu accelerated binding free energy calculations within the amber molecular dynamics packageDaniel J Mermelstein, Charles Lin, Gard Nelson, et al.
Biophysical Journal|January 5, 2019
Mechanisms for Benzene Dissociation through the Excited State of T4 Lysozyme L99A MutantVictoria A Feher, Jamie M Schiffer, Daniel J Mermelstein, et al.
Pageof 1