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Effect of Halogen Substitutions on dUMP to Stability of Thymidylate Synthase/dUMP/mTHF Ternary Complex Using Molecular Dynamics Simulation.
Nopporn Kaiyawet
Thanyada Rungrotmongkol
Supot Hannongbua
Published in:
J. Chem. Inf. Model. (2013)
Keyphrases
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molecular dynamics
molecular dynamics simulations
high performance computing
scientific data
protein folding
fluid flow
high level
data analysis
scheduling problem
data collection
fine grained
coarse grained