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Eliot Boulanger

Affiliations: 
University of Chicago, Chicago, IL 
Area:
Computational Biophysics
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"Eliot Boulanger"
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Parents

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Walter Thiel grad student 2010-2014 Max-Planck-Institut für Kohlenforschung
Benoit Roux post-doc 2015-2017 Chicago

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Publications

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Boulanger E, Huang L, Rupakheti C, et al. (2018) Optimized Lennard-Jones Parameters for Drug-Like Small Molecules. Journal of Chemical Theory and Computation
Boulanger E, Harvey JN. (2018) QM/MM methods for free energies and photochemistry. Current Opinion in Structural Biology. 49: 72-76
Li J, Ostmeyer J, Boulanger E, et al. (2017) Chemical substitutions in the selectivity filter of potassium channels do not rule out constricted-like conformations for C-type inactivation. Proceedings of the National Academy of Sciences of the United States of America
Ganguly A, Boulanger E, Thiel W. (2017) Importance of MM Polarization in QM/MM Studies of Enzymatic Reactions: Assessment of the QM/MM Drude Oscillator Model. Journal of Chemical Theory and Computation
Boulanger E, Huang L, MacKerell AD, et al. (2016) Improved Lennard-Jones Parameters for Accurate Molecular Dynamics Simulations Biophysical Journal. 110: 646a
Sokkar P, Boulanger E, Thiel W, et al. (2015) Hybrid Quantum Mechanics/Molecular Mechanics/Coarse Grained Modeling: A Triple-Resolution Approach for Biomolecular Systems. Journal of Chemical Theory and Computation. 11: 1809-18
Loerbroks C, Boulanger E, Thiel W. (2015) Solvent influence on cellulose 1,4-β-glycosidic bond cleavage: a molecular dynamics and metadynamics study. Chemistry (Weinheim An Der Bergstrasse, Germany). 21: 5477-87
Sokkar P, Boulanger E, Thiel W, et al. (2015) Hybrid quantum mechanics/molecular mechanics/coarse grained modeling: A triple-resolution approach for biomolecular systems Journal of Chemical Theory and Computation. 11: 1809-1818
Boulanger E, Thiel W. (2014) Toward QM/MM Simulation of Enzymatic Reactions with the Drude Oscillator Polarizable Force Field. Journal of Chemical Theory and Computation. 10: 1795-809
Boulanger E, Thiel W. (2014) Toward QM/MM simulation of enzymatic reactions with the drude oscillator polarizable force field Journal of Chemical Theory and Computation. 10: 1795-1809
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