John E. Straub

Chemistry Boston University, Boston, MA, United States 
protein dynamics and thermodynamics using theoretical and computational methods
"John Straub"
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Millard H. Alexander research assistant University of Maryland
Bruce J. Berne grad student 1987 Columbia
 (On the numerical simulation of activated processes)
Martin Karplus post-doc 1987-1990 Harvard
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Elkins MR, Bandara A, Pantelopulos GA, et al. (2021) Direct Observation of Cholesterol Dimers and Tetramers in Lipid Bilayers. The Journal of Physical Chemistry. B
Nguyen PH, Ramamoorthy A, Sahoo BR, et al. (2021) Amyloid Oligomers: A Joint Experimental/Computational Perspective on Alzheimer's Disease, Parkinson's Disease, Type II Diabetes, and Amyotrophic Lateral Sclerosis. Chemical Reviews
Pantelopulos GA, Panahi A, Straub JE. (2020) Impact of Cholesterol Concentration and Lipid Phase on Structure and Fluctuation of Amyloid Precursor Protein. The Journal of Physical Chemistry. B. 124: 10173-10185
Chakraborty D, Straub JE, Thirumalai D. (2020) Differences in the free energies between the excited states of A40 and A42 monomers encode their aggregation propensities. Proceedings of the National Academy of Sciences of the United States of America
Bandara A, Panahi A, Pantelopulos GA, et al. (2019) Exploring the Structure and Stability of Cholesterol Dimer Formation in Multicomponent Lipid Bilayers. Journal of Computational Chemistry. 40: 2348
Bandara A, Panahi A, Pantelopulos GA, et al. (2019) Exploring the impact of proteins on the line tension of a phase-separating ternary lipid mixture. The Journal of Chemical Physics. 150: 204702
Baul U, Chakraborty D, Mugnai ML, et al. (2019) Sequence Effects on Size, Shape, and Structural Heterogeneity in Intrinsically Disordered Proteins. The Journal of Physical Chemistry. B
Urano R, Pantelopulos GA, Straub JE. (2019) Aerosol-OT Surfactant Forms Stable Reverse Micelles in Aploar Solvent in the Absence of Water. The Journal of Physical Chemistry. B
Pantelopulos GA, Straub JE. (2018) Regimes of Complex Lipid Bilayer Phases Induced by Cholesterol Concentration in MD Simulation. Biophysical Journal
Sakae Y, Straub JE, Okamoto Y. (2018) Enhanced sampling method in molecular simulations using genetic algorithm for biomolecular systems. Journal of Computational Chemistry
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