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Filtering by: Contributor Kaminski, George A. Remove constraint Contributor: Kaminski, George A. Collections PhD Dissertations Remove constraint Collections: PhD Dissertations

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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
Conversion of Carbon Dioxide to Fuels using Dispersed Atomic-Size Catalysts

Keyword:

density functional theory, Modeling, reaction conditions, supported cluster stability, atomic-size catalysts, supported catalyst, and CO2 Reduction

Creator:

Iyemperumal, Satish Kumar

Advisor:

Deskins, N Aaron

Publisher:

Worcester Polytechnic Institute

Date Created:

2018-06-15

Resource Type:

Dissertation

Degree:

PhD

Unit (Department):

Chemical Engineering
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
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
Resolution of pharmaceuticals via crystallization on chemically modified surfaces

Keyword:

enantioselective crystallization and chiral surfaces

Creator:

Navare, Pranoti

Advisor:

MacDonald, John C.

Publisher:

Worcester Polytechnic Institute

Date Created:

2012-05-31

Resource Type:

Dissertation

Degree:

PhD

Unit (Department):

Chemistry & Biochemistry
Modification of Surfaces for Biological Applications

Keyword:

biological applications and Surface Modification

Creator:

Milkani, Eftim

Advisor:

McGimpsey, W. Grant

Publisher:

Worcester Polytechnic Institute

Date Created:

2010-04-29

Resource Type:

Dissertation

Degree:

PhD

Unit (Department):

Chemistry & Biochemistry

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PhD Dissertations[remove]6

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Creator

Cvitkovic, John Peter1
Iyemperumal, Satish Kumar1
Li, Xinbi1
Milkani, Eftim1
Navare, Pranoti1
more Creators »

Advisor

Deskins, N Aaron1
Kaminski, George A.3
MacDonald, John C.1
McGimpsey, W. Grant1

Contributor

Burdette, Shawn C.1
Connors, Robert E.1
Datta, Ravindra1
Deskins, N Aaron1
Dittami, James P.2
more Contributors »

Unit (Department)

Chemical Engineering1
Chemistry & Biochemistry5

Publisher

Worcester Polytechnic Institute6

Resource type

Dissertation6

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