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1. Biomolecular NMR spectroscopy: Application to the study of the piRNA-pathway protein GTSF1, and backbone and side-chain spin relaxation methods development

O'Brien, Paul
2019
Theses
BiophysicsBiochemistryNuclear magnetic resonance spectroscopyProteins--StructureMolecular dynamics

2. Developing a molecular dynamics force field for both folded and disordered protein states

Robustelli, Paul; Piana, Stefano; Shaw, David Elliot
2018
Articles
Molecular dynamicsComputer simulationProteinsProtein folding

3. Phase Diagrams of Water Confined by Graphene and Graphene Oxide

Gao, Zhenghan
2018
Theses
PhysicsGrapheneMolecular dynamicsWaterPhase diagramsCavitation

4. RNA force field with accuracy comparable to state-of-the-art protein force fields

Tan, Dazhi; Piana, Stefano; Dirks, Robert M.; Shaw, David Elliot
2018
Articles
BiochemistryBiophysicsRNA-protein interactionsMolecular dynamicsNucleic acids

5. Directional mechanical stability of Bacteriophage φ29 motor’s 3WJ-pRNA: Extraordinary robustness along portal axis

Xu, Zhonghe; Sun, Yang; Weber, Jeffrey K.; Cao, Yi; Wang, Wei; Jasinski, Daniel; Guo, Peixuan; Zhou, Ruhong; Li, Jingyuan
2017
Articles
BiophysicsChemistryBacteriophagesMolecular dynamicsAtomic force microscopyStability

6. How and when does an anticancer drug leave its binding site?

Tiwary, Pratyush; Mondal, Jagannath; Berne, Bruce J.
2017
Articles
BiochemistryMolecular dynamicsAntineoplastic agentsDrugsChemical engineeringBinding sites (Biochemistry)

7. Molecular Dynamics Simulations of Microtubule-associated protein 1A/1B-light chain 3 (LC3) and its membrane associated form(LC3-II)

Mathew, Shyno
2017
Theses
Chemical engineeringMolecular biologyBioinformaticsAutophagic vacuoleMolecular dynamics

8. Nanoscale Electrical and Coarse-grained Molecular Dynamics Studies of Influenza Hemagglutinin-mediated Membrane Fusion Pores

Alcott, Brett Eugene
2017
Theses
BiophysicsBiochemistryVirologyMolecular dynamicsMembrane fusion

9. Studies of Polymers, Active Colloids, and Proteins

Tung, Clarion K.
2016
Theses
ColloidsProteinsMolecular dynamicsProtein foldingPolymersChemistryPhysicsMicrophysics

10. Understanding complex biomolecular systems through the synergy of molecular dynamics simulations, NMR spectroscopy and X-Ray crystallography

Zeiske, Tim
2016
Theses
Molecular dynamics--Simulation methodsMolecular dynamics--Computer simulationNuclear magnetic resonance spectroscopyBiomolecules--Computer simulationX-ray crystallographyMacromolecules--StructureMolecular dynamicsBiophysicsBiochemistry