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Water
molecular dynamics
water
33
Molecular Dynamics Simulation
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article
26
chemistry
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priority journal
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Molecular dynamics
15
thermodynamics
15
Thermodynamics
13
Protein Binding
10
unclassified drug
9
Ligands
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Proteins
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Quantum Theory
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metabolism
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nonhuman
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surface property
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Bacterial Proteins
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Hydrogen-Ion Concentration
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Solutions
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pH
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Computer Simulation
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Molecular dynamics simulations
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Molecules
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Protein Structure, Tertiary
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Solvents
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chemical structure
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heme
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protein binding
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