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Flexibility and Explicit Solvent in Molecular-Dynamics-Based Docking of Protein-Glycosaminoglycan Systems.
Sergey A. Samsonov
Jan-Philip Gehrcke
M. Teresa Pisabarro
Published in:
J. Chem. Inf. Model. (2014)
Keyphrases
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molecular dynamics
scientific data
high performance computing
protein folding
active learning
image sequences
distributed systems
molecular dynamics simulations
database
computer vision
management system
data collection
computer systems
computing systems