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• W2038719984 abstract "Traditionally, computer-aided drug design generates, optimizes and evaluates ligands for binding to a target molecule, one ligand at a time. The advent of high-throughput technologies and the current trend of miniaturization and integration of automated synthesis and screening have stimulated widespread interest in the development of new computational tools for estimating molecular diversity, searching chemical databases and designing ligands. The biggest challenge has always been to improve the accuracy and reliability of such tools. The authors describe a new computational method, which allows simultaneous processing of a mixture of ligands, and may offer new solutions in computer-aided drug design." @default.
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• W2038719984 date "1997-06-01" @default.
• W2038719984 modified "2023-09-25" @default.
• W2038719984 title "Computational screening of combinatorial libraries via multicopy sampling" @default.
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• W2038719984 doi "https://doi.org/10.1016/s1359-6446(97)01046-5" @default.
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