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Filtering by: Advisor Kaminski, George A. Collections PhD Dissertations

1. From All-Atom Molecular Mechanics to Coarse- Grained Lattice Models: Computational Approaches to Problems in Protein Biochemistry

Keyword:: force field, protein pka, and computational chemistry
Creator:: Cvitkovic, John Peter
Advisor:: Kaminski, George A.
Publisher:: Worcester Polytechnic Institute
Date Created:: 2019-04-24
Resource Type:: Dissertation
Degree:: PhD
Unit (Department):: Chemistry & Biochemistry

2. Developing and validating Fuzzy-Border continuum solvation model with POlarizable Simulations Second order Interaction Model (POSSIM) force field for proteins

Keyword:: Protein force field, Polarizable force field, Protein pKa, and Continuum solvation model
Creator:: Sharma, Ity
Advisor:: Kaminski, George A.
Publisher:: Worcester Polytechnic Institute
Date Created:: 2015-10-13
Resource Type:: Dissertation
Degree:: PhD
Unit (Department):: Chemistry & Biochemistry

3. Developing and Validating a Complete Second-order Polarizable Force Field for Proteins

Keyword:: Protein force field, torsional fitting, many-body energy, and polarizable force fields
Creator:: Li, Xinbi
Advisor:: Kaminski, George A.
Publisher:: Worcester Polytechnic Institute
Date Created:: 2015-04-27
Resource Type:: Dissertation
Degree:: PhD
Unit (Department):: Chemistry & Biochemistry