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Docking of small molecules to farnesoid X receptors using AutoDock Vina with the Convex-PL potential: lessons learned from D3R Grand Challenge 2.
Maria Kadukova
Sergei Grudinin
Published in:
J. Comput. Aided Mol. Des. (2018)
Keyphrases
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lessons learned
grand challenge
future directions
case study
autonomous driving
convex optimization
design science
piecewise linear
convex hull
participatory design
small number
database
learning technologies
globally optimal
grounded theory
vision system
pharmaceutical industry