Search

Author:

Persichetti, Joseph

Title:

Understanding the Role of Multiple Pathways in Enzyme Catalysis with a Hierarchical Markov State Model

Graduate Program:

Chemistry (PHD)

Keywords:

molecular dynamics
markov state model
QM/MM
enzyme kinetics
alanine dipeptide
dihydrofolate reductase
computational
free-energy simulations
finite-temperature string method

File:

Download Joseph_Persichetti_PhD_Thesis_FinalSubmission.pdf

Committee Members:

Lasse Jensen, Major Field Member
Howard Salis, Outside Unit & Field Member
Edward O'Brien, Chair & Dissertation Advisor
Squire Booker, Major Field Member
Philip Bevilacqua, Program Head/Chair

Author:

Mandalaparthy, Varun

Title:

The Influence of Cosolvent Interactions Upon Interfaces and Macromolecules

Graduate Program:

Chemistry (PHD)

Keywords:

protein stability
polymers
proteins
osmolytes
thermodynamics
statistical mechanics
lattice models
protein folding
urea
tmao
simulations
theory
solute interactions
molecular dynamics
monte carlo

File:

Login to Download

Committee Members:

Paul Cremer, Major Field Member
William Noid, Chair & Dissertation Advisor
Edward O'Brien, Major Field Member
Xiantao Li, Outside Unit & Field Member
Philip Bevilacqua, Program Head/Chair