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Steered Molecular Dynamics Simulations for Studying Protein-Ligand Interaction in Cyclin-Dependent Kinase 5.
Jagdish Suresh Patel
Anna Berteotti
Simone Ronsisvalle
Walter Rocchia
Andrea Cavalli
Published in:
J. Chem. Inf. Model. (2014)
Keyphrases
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molecular dynamics simulations
molecular dynamics
sequence alignment
drug design
protein interaction
protein protein
virtual screening
biological data
protein protein interactions
binding sites
protein sequences
scientific data
high performance computing
data mining