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Algorithm mapping to hardware and software models of coarse- and fine-grained...
Algorithm mapping to hardware and software models of coarse- and fine-grained parallelism in GeauxDock. -
r37980778c78--e9cd8dd66814ab0c3e2e0d5b894a4714
Benchmarking data for docking simulations conducted for the CCDC/Astex dataset using various computing devices. -
Modeling Liver-Related Adverse Effects of Drugs Using <i>k</i>Nearest Neighbo...
Adverse effects of drugs (AEDs) continue to be a major cause of drug withdrawals in both development and postmarketing. While liver-related AEDs are a major concern for drug... -
Quantitative Structure–Price Relationship (QS$R) Modeling and the Development...
In recent years, the field of quantitative structure–activity/property relationship (QSAR/QSPR) modeling has developed into a stable technology capable of reliably predicting... -
PAPI preset events used to assess the code performance.
PAPI preset events used to assess the code performance. -
Catalytic Asymmetric Synthesis of a Tertiary Benzylic Carbon Center via Pheno...
An expeditious synthetic approach to chiral phenol 1, a key building block in the preparation of a series of drug candidates, is reported. The strategy includes a cost-effective... -
r37980778c78--35f7ff722b156f2477f5d29a74dff535
Computational modeling of drug binding to proteins is an integral component of direct drug design. Particularly, structure-based virtual screening is often used to perform...
