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Journal of Chemical Theory and Computation
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November 26, 2015
Solvent Boundary Potentials for Hybrid QM/MM Computations Using Classical Drude Oscillators: A Fully Polarizable Model
Eliot Boulanger, Walter Thiel
Journal of Chemical Theory and Computation
|
November 19, 2015
Toward QM/MM Simulation of Enzymatic Reactions with the Drude Oscillator Polarizable Force Field
Eliot Boulanger, Walter Thiel
Current Opinion in Structural Biology
|
February 8, 2018
QM/MM methods for free energies and photochemistry
Eliot Boulanger, Jeremy N Harvey
Journal of Chemical Theory and Computation
|
April 25, 2017
Importance of MM Polarization in QM/MM Studies of Enzymatic Reactions: Assessment of the QM/MM Drude Oscillator Model
Abir Ganguly, Eliot Boulanger, Walter Thiel
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
February 18, 2015
Solvent influence on cellulose 1,4-β-glycosidic bond cleavage: a molecular dynamics and metadynamics study
Claudia Loerbroks, Eliot Boulanger, Walter Thiel
European Journal of Pharmaceutical Sciences : Official Journal of the European Federation for Pharmaceutical Sciences
|
January 25, 2022
Sampling and diversion strategy for twin-screw granulation lines using batch statistical process monitoring
Fanny Stauffer, Eliot Boulanger, Gabrielle Pilcer
Physical Chemistry Chemical Physics : PCCP
|
June 27, 2013
A microiterative intrinsic reaction coordinate method for large QM/MM systems
Iakov Polyak, Eliot Boulanger, Kakali Sen, et al.
The Journal of Chemical Physics
|
August 17, 2013
Quantum mechanics/molecular mechanics dual Hamiltonian free energy perturbation
Iakov Polyak, Tobias Benighaus, Eliot Boulanger, et al.
Journal of Chemical Theory and Computation
|
November 18, 2015
Hybrid Quantum Mechanics/Molecular Mechanics/Coarse Grained Modeling: A Triple-Resolution Approach for Biomolecular Systems
Pandian Sokkar, Eliot Boulanger, Walter Thiel, et al.
Angewandte Chemie (International Ed. in English)
|
June 21, 2013
Photochemical steps in the prebiotic synthesis of purine precursors from HCN
Eliot Boulanger, Anakuthil Anoop, Dana Nachtigallova, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 12) with videos related to
Sort By:
Page
of 2
Journal of Chemical Theory and Computation
|
November 26, 2015
Solvent Boundary Potentials for Hybrid QM/MM Computations Using Classical Drude Oscillators: A Fully Polarizable Model
Eliot Boulanger, Walter Thiel
Journal of Chemical Theory and Computation
|
November 19, 2015
Toward QM/MM Simulation of Enzymatic Reactions with the Drude Oscillator Polarizable Force Field
Eliot Boulanger, Walter Thiel
Current Opinion in Structural Biology
|
February 8, 2018
QM/MM methods for free energies and photochemistry
Eliot Boulanger, Jeremy N Harvey
Journal of Chemical Theory and Computation
|
April 25, 2017
Importance of MM Polarization in QM/MM Studies of Enzymatic Reactions: Assessment of the QM/MM Drude Oscillator Model
Abir Ganguly, Eliot Boulanger, Walter Thiel
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
February 18, 2015
Solvent influence on cellulose 1,4-β-glycosidic bond cleavage: a molecular dynamics and metadynamics study
Claudia Loerbroks, Eliot Boulanger, Walter Thiel
European Journal of Pharmaceutical Sciences : Official Journal of the European Federation for Pharmaceutical Sciences
|
January 25, 2022
Sampling and diversion strategy for twin-screw granulation lines using batch statistical process monitoring
Fanny Stauffer, Eliot Boulanger, Gabrielle Pilcer
Physical Chemistry Chemical Physics : PCCP
|
June 27, 2013
A microiterative intrinsic reaction coordinate method for large QM/MM systems
Iakov Polyak, Eliot Boulanger, Kakali Sen, et al.
The Journal of Chemical Physics
|
August 17, 2013
Quantum mechanics/molecular mechanics dual Hamiltonian free energy perturbation
Iakov Polyak, Tobias Benighaus, Eliot Boulanger, et al.
Journal of Chemical Theory and Computation
|
November 18, 2015
Hybrid Quantum Mechanics/Molecular Mechanics/Coarse Grained Modeling: A Triple-Resolution Approach for Biomolecular Systems
Pandian Sokkar, Eliot Boulanger, Walter Thiel, et al.
Angewandte Chemie (International Ed. in English)
|
June 21, 2013
Photochemical steps in the prebiotic synthesis of purine precursors from HCN
Eliot Boulanger, Anakuthil Anoop, Dana Nachtigallova, et al.
Page
of 2