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DOCKTITE - A Highly Versatile Step-by-Step Workflow for Covalent Docking and Virtual Screening in the Molecular Operating Environment.
Christoph Scholz
Sabine Knorr
Kay Hamacher
Boris Schmidt
Published in:
J. Chem. Inf. Model. (2015)
Keyphrases
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virtual screening
operating environment
drug discovery
similarity searching
chemical structures
operating system
binding sites
scoring function
high throughput
similarity search
van der waals
data warehouse
data processing
computer systems