Titlebook: Virtual Screening: An Alternative or Complement to High Throughput Screening?; Proceedings of the W Gerhard Klebe Conference proceedings 20

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https://doi.org/10.1007/0-306-46883-2chemistry; drug; drugs; future; research

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Modifications of the scoring function in FlexX for virtual screening applications, thereby gain larger weight than others formed at the protein surface. The modified scoring function is tested with thrombin as a target. Secondly, a recently published knowledge-based scoring function is compared to the FlexX scoring function in several database ranking experiments.

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