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Troy W. Whitfield, Ph.D. - Publications

Affiliations: 
2002 Boston University, Boston, MA, United States 
Area:
protein dynamics and thermodynamics using theoretical and computational methods
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9 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2016 Tavella D, Deveau LM, Whitfield TW, Massi F. Structural basis of the disorder in the tandem zinc finger domain of the RNA-binding protein Tristetraprolin. Journal of Chemical Theory and Computation. PMID 27487322 DOI: 10.1021/Acs.Jctc.6B00150  0.486
2013 Jones AP, Crain J, Sokhan VP, Whitfield TW, Martyna GJ. Quantum Drude oscillator model of atoms and molecules: Many-body polarization and dispersion interactions for atomistic simulation Physical Review B - Condensed Matter and Materials Physics. 87. DOI: 10.1103/Physrevb.87.144103  0.326
2010 Yu H, Mazzanti CL, Whitfield TW, Koeppe RE, Andersen OS, Roux B. A combined experimental and theoretical study of ion solvation in liquid N-methylacetamide. Journal of the American Chemical Society. 132: 10847-56. PMID 20681718 DOI: 10.1021/Ja103270W  0.318
2007 Whitfield TW, Martyna GJ. Low variance energy estimators for systems of quantum Drude oscillators: treating harmonic path integrals with large separations of time scales. The Journal of Chemical Physics. 126: 074104. PMID 17328590 DOI: 10.1063/1.2424708  0.312
2006 Whitfield TW, Crain J, Martyna GJ. Structural properties of liquid N-methylacetamide via ab initio, path integral, and classical molecular dynamics. The Journal of Chemical Physics. 124: 94503. PMID 16526863 DOI: 10.1063/1.2150432  0.309
2002 Whitfield TW, Straub JE. Gravitational smoothing as a global optimization strategy. Journal of Computational Chemistry. 23: 1100-3. PMID 12116396 DOI: 10.1002/Jcc.10106  0.476
2002 Whitfield TW, Bu L, Straub JE. Generalized parallel sampling Physica a: Statistical Mechanics and Its Applications. 305: 157-171. DOI: 10.1016/S0378-4371(01)00656-2  0.553
2001 Whitfield TW, Straub JE. Enhanced sampling in numerical path integration: an approximation for the quantum statistical density matrix based on the nonextensive thermostatistics. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 64: 066115. PMID 11736244 DOI: 10.1103/Physreve.64.066115  0.51
2001 Whitfield TW, Straub JE. Uncertainty of path integral averages of low temperature Journal of Chemical Physics. 115: 6834-6840. DOI: 10.1063/1.1403691  0.486
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