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Journal of Computer-Aided Molecular Design
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August 16, 2024
FitScore: a fast machine learning-based score for 3D virtual screening enrichment
Daniel K Gehlhaar, Daniel J Mermelstein
Journal of Computer-Aided Molecular Design
|
June 5, 2025
Solvation and formal charge corrections to the Piecewise-Linear Potential
Daniel K Gehlhaar, Daniel J Mermelstein
Journal of Molecular Recognition : JMR
|
September 29, 2018
pH-dependent conformational dynamics of beta-secretase 1: A molecular dynamics study
Daniel 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 Properties
James 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 package
Daniel 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 Mutant
Victoria A Feher, Jamie M Schiffer, Daniel J Mermelstein, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 6) with videos related to
Sort By:
Page
of 1
Journal of Computer-Aided Molecular Design
|
August 16, 2024
FitScore: a fast machine learning-based score for 3D virtual screening enrichment
Daniel K Gehlhaar, Daniel J Mermelstein
Journal of Computer-Aided Molecular Design
|
June 5, 2025
Solvation and formal charge corrections to the Piecewise-Linear Potential
Daniel K Gehlhaar, Daniel J Mermelstein
Journal of Molecular Recognition : JMR
|
September 29, 2018
pH-dependent conformational dynamics of beta-secretase 1: A molecular dynamics study
Daniel 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 Properties
James 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 package
Daniel 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 Mutant
Victoria A Feher, Jamie M Schiffer, Daniel J Mermelstein, et al.
Page
of 1