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