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Publications by Benoît Roux
Protonation of Key Acidic Residues Is Critical for the K+-Selectivity of the Na/K Pump
Nature Structural and Molecular Biology
Structural Biology
Molecular Biology
The Hidden Energetics of Ligand Binding and Activation in a Glutamate Receptor
Nature Structural and Molecular Biology
Structural Biology
Molecular Biology
Phosphoantigen-Induced Conformational Change of Butyrophilin 3A1 (BTN3A1) and Its Implication on Vγ9Vδ2 T Cell Activation
Proceedings of the National Academy of Sciences of the United States of America
Multidisciplinary
Structure, Dynamics, and Function of the Membrane Associated SRC Family Kinase HCK
Biophysical Journal
Biophysics
Molecular Dynamics Investigation of the Ω-Current in the Kv1.2 Voltage Sensor Domains
Biophysical Journal
Biophysics
Nucleotide Regulation of the Structure and Dynamics of G-Actin
Biophysical Journal
Biophysics
Free Energy Perturbation Hamiltonian Replica-Exchange Molecular Dynamics (FEP/H-REMD) for Absolute Ligand Binding Free Energy Calculations
Journal of Chemical Theory and Computation
Theoretical Chemistry
Computer Science Applications
Physical
Polarizable Force Field for Peptides and Proteins Based on the Classical Drude Oscillator
Journal of Chemical Theory and Computation
Theoretical Chemistry
Computer Science Applications
Physical
Multiple Time-Step Dual-Hamiltonian Hybrid Molecular Dynamics – Monte Carlo Canonical Propagation Algorithm
Journal of Chemical Theory and Computation
Theoretical Chemistry
Computer Science Applications
Physical
Efficient Determination of Free Energy Landscapes in Multiple Dimensions From Biased Umbrella Sampling Simulations Using Linear Regression
Journal of Chemical Theory and Computation
Theoretical Chemistry
Computer Science Applications
Physical
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