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Committee Member: Merz, Kenneth M.
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Electronic Theses & Dissertations
7
Material Type
Theses
7
Language
English
7
Copyright Status
Creative Commons Licensed
5
In Copyright
2
Subject
Biochemistry
1
Biophysics
1
Cellular control mechanisms
1
Cellular signal transduction--Mathematical models
1
Chemistry
1
Chemistry, Physical and theoretical
1
Chemistry--Computer simulation
2
Cluster analysis
1
Computational chemistry
2
Computer science
2
Computer simulation
1
Drug development
1
Drugs--Design
1
Electronic data processing--Distributed processing
1
Mathematical models
1
Molecular dynamics
1
Monte Carlo method
1
Parallel processing (Electronic computers)
1
Protein kinases
1
Quantum chemistry--Methodology
1
Thermodynamic potentials
1
Wave functions
1
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Optimizing and improving the fidelity of reactive, polarizable molecular dynamics simulations on modern high performance computing architectures
O'Hearn, Kurt A.
Text (2022)
Part of
Electronic Theses & Dissertations
Application of free energy methods to drug discovery
Song, Lin, 1992-
Text (2020)
Part of
Electronic Theses & Dissertations
Single-Reference Coupled-Cluster Methods for Strongly Correlated Systems
Magoulas, Ilias
Text (2021)
Part of
Electronic Theses & Dissertations
IMPROVING THE FIDELITY AND USABILITY OF MOLECULAR MODELS THROUGH HYBRIDIZATION AND MACHINE LEARNING TECHNIQUES
kaymak, mehmet cagri
Text (2023)
Part of
Electronic Theses & Dissertations
Computational Molecular Design and Innovation : from Drug Discovery to Emerging Contaminants
Eken, Yigitcan
Text (2021)
Part of
Electronic Theses & Dissertations
Computational chemistry : investigations of protein-protein interactions and post-translational modifications to peptides
Jones, Michael R. (Graduate of Michigan State University)
Text (2017)
Part of
Electronic Theses & Dissertations
Approaching exact quantum chemistry by stochastic wave function sampling and deterministic coupled-cluster computations
Deustua Stahr, Jorge Emiliano
Text (2020)
Part of
Electronic Theses & Dissertations
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