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Tüzel, Erkan
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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
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
Accelerating SRD Simulation on GPU
Keyword:
GPU acceleration
,
CUDA programming
, and
SRD simulation
Creator:
Chen, Zhilu
Advisor:
Huang, Xinming
Publisher:
Worcester Polytechnic Institute
Date Created:
2013-04-17
Resource Type:
Thesis
Degree:
MS
Unit (Department):
Electrical & Computer Engineering
Phylogenetic Characterization of the Kinesin Superfamily and Functional Analysis of PpKin14-Vs in Physcomitrella patens
Keyword:
moss
,
PpKinesin14-Vs
,
chloroplast photorelocation
,
intracellular motility
,
microtubule
,
gene knockout
,
phylogenetic analysis
, and
kinesin
Creator:
Shen, Zhiyuan
Advisor:
Vidali, Luis
Publisher:
Worcester Polytechnic Institute
Date Created:
2014-01-30
Resource Type:
Thesis
Degree:
MS
Unit (Department):
Biology & Biotechnology
Catalytic and Electrocatalytic Pathways in Fuel Cells
Keyword:
reaction route graph theory
,
water gas shit
,
hydrogen oxidation
,
methanol decomposition
,
electrocatalysis
,
fuel cell model
,
ammonia decomposition
,
Fuel Cells
,
Catalysis
,
Methane Steam Reforming
, and
oxygen reduction
Creator:
Vilekar, Saurabh A.
Advisor:
Datta, Ravindra
Publisher:
Worcester Polytechnic Institute
Date Created:
2010-04-19
Resource Type:
Dissertation
Degree:
PhD
Unit (Department):
Chemical Engineering
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1
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2
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