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Molecular dynamics
Thermodynamics
article
11
Ligands
10
molecular dynamics
10
priority journal
9
protein function
6
thermodynamics
6
unclassified drug
6
Models, Molecular
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Molecular Dynamics Simulation
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Molecular dynamics simulations
5
Porphyrins
5
computer simulation
5
hemoprotein
5
ligand
5
ligand binding
5
nonhuman
5
protein structure
5
Ammonia
4
Computer Simulation
4
Crystallography, X-Ray
4
Hemoglobin
4
Kinetics
4
Solvents
4
chemistry
4
controlled study
4
Charge transfer
3
Charge transfer to solvent (CTTS)
3
Electron detachment energies
3
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13por 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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