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Molecular Dynamics Simulation and Site-Directed Mutagenesis of Alcohol Acyltransferase: A Proposed Mechanism of Catalysis.
Luis Morales-Quintana
María Ximena Nuñez-Tobar
María Alejandra Moya-León
Raúl Herrera
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
databases
computer vision
theoretical analysis
mathematical model
computational methods
data generation