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Ma, Piao; Cardenas, Alfredo E; Chaudhari, Mangesh I et al. (2018) Probing Translocation in Mutants of the Anthrax Channel: Atomically Detailed Simulations with Milestoning. J Phys Chem B 122:10296-10305
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Fathizadeh, Arman; Elber, Ron (2018) Ion Permeation Through a Phospholipid Membrane: Transition State, Path Splitting, and Calculation of Permeability. J Chem Theory Comput :
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Templeton, Clark; Elber, Ron (2018) Why Does RNA Collapse? The Importance of Water in a Simulation Study of Helix-Junction-Helix Systems. J Am Chem Soc :
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Ma, Piao; Cardenas, Alfredo E; Chaudhari, Mangesh I et al. (2017) The Impact of Protonation on Early Translocation of Anthrax Lethal Factor: Kinetics from Molecular Dynamics Simulations and Milestoning Theory. J Am Chem Soc 139:14837-14840
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Elber, Ron; Bello-Rivas, Juan M; Ma, Piao et al. (2017) Calculating Iso-Committor Surfaces as Optimal Reaction Coordinates with Milestoning. Entropy (Basel) 19:
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Atis, Murat; Johnson, Kenneth A; Elber, Ron (2017) Pyrophosphate Release in the Protein HIV Reverse Transcriptase. J Phys Chem B 121:9557-9565
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Shrestha, Rebika; Anderson, Cari M; Cardenas, Alfredo E et al. (2017) Direct Measurement of the Effect of Cholesterol and 6-Ketocholestanol on the Membrane Dipole Electric Field Using Vibrational Stark Effect Spectroscopy Coupled with Molecular Dynamics Simulations. J Phys Chem B 121:3424-3436
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Templeton, Clark; Chen, Szu-Hua; Fathizadeh, Arman et al. (2017) Rock climbing: A local-global algorithm to compute minimum energy and minimum free energy pathways. J Chem Phys 147:152718
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Aristoff, David; Bello-Rivas, Juan M; Elber, Ron (2016) A MATHEMATICAL FRAMEWORK FOR EXACT MILESTONING. Multiscale Model Simul 14:301-322
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Chen, Szu-Hua; Meller, Jaroslaw; Elber, Ron (2016) Comprehensive analysis of sequences of a protein switch. Protein Sci 25:135-46
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Showing the most recent 10 out of 60 publications
