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Computational Prediction of ω-Transaminase Specificity by a Combination of Docking and Molecular Dynamics Simulations.
Carlos Ramírez-Palacios
Hein J. Wijma
Sebastian Thallmair
Siewert J. Marrink
Dick B. Janssen
Published in:
J. Chem. Inf. Model. (2021)
Keyphrases
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molecular dynamics simulations
prediction accuracy
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parallel algorithm