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Exploring Protein Kinase Conformation Using Swarm-Enhanced Sampling Molecular Dynamics.
Alessio Atzori
Neil J. Bruce
Kepa K. Burusco
Berthold Wroblowski
Pascal Bonnet
Richard A. Bryce
Published in:
J. Chem. Inf. Model. (2014)
Keyphrases
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molecular dynamics
protein folding
amino acids
molecular dynamics simulations
sequence alignment
secondary structure
protein structure
protein sequences
protein structure prediction
biological data
coarse grained
high performance computing
scientific data
image sequences
database
fine grained
pairwise