Archive for March 2019

Quantum is Cleaner – Conformational Analysis in Ligand-based Drug Design

Drug discoverers require high throughput technology in both experimental and computational (virtual) library screening workflows to offset the extreme complexity in designing and testing new drug candidates. For the latter, the technological landscape is dominated by informatics and classical physics (mechanics) modelling using empirical force fields (FF). While force field accuracy has steadily improved over…

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