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Molecular Dynamics Simulation
4
QM/MM
4
Quantum Theory
4
Thermodynamics
4
Water
chemistry
molecular dynamics
quantum theory
4
thermodynamics
unclassified drug
water
Algorithms
2
Amidohydrolases
2
Aqueous decomposition
2
Article
2
Bacterial Proteins
2
Biocatalysis
2
Cations, Divalent
2
Conference Paper
2
Dimerization
2
Electrons
2
Free energy
2
Humans
2
HyDRA
2
Hydrogen-Ion Concentration
2
Jarzynski's relationship
2
Kinetics
2
M. tuberculosis
2
MA amidase
2
Mechanism
2
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1
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2
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3SER
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4