Reduced Free Energy Perturbation/Hamiltonian Replica Exchange Molecular Dynamics Method with Unbiased Alchemical Thermodynamic Axis.

Reduced Free Energy Perturbation/Hamiltonian Replica Exchange Molecular Dynamics Method with Unbiased Alchemical Thermodynamic Axis. J Phys Chem B. 2018 10 18; 122(41):9435-9442.

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subject areas

Algorithms
Bacteriophage T4
Benzene Derivatives
Binding Sites
Molecular Dynamics Simulation
Muramidase
Protein Binding
Quantum Theory
Thermodynamics
Xylenes

authors with profiles

Sunhwan Jo