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Molecular dynamics
article
8
chemistry
computer simulation
molecular dynamics
8
nonhuman
priority journal
8
Computer Simulation
6
Ligands
6
Thermodynamics
6
ligand binding
6
metabolism
6
thermodynamics
6
Crystallography, X-Ray
4
Escherichia coli
4
Humans
4
Mycobacterium tuberculosis
4
Oxidation-Reduction
4
Protein Binding
4
QM/MM
4
Quantum Theory
4
Raman spectrometry
4
X ray crystallography
4
controlled study
4
heme
4
human
4
oxidation reduction reaction
4
protein binding
4
quantum mechanics
4
quantum theory
4
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7por Lama, A., Pawaria, S., Bidon-Chanal, A., Anand, A., Gelpi, J.L., Arya, S., Marti, M., Estrin, D.A., Luque, F.J., Dikshit, K.L.JOUR
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