Journal article

Design of inhibitors of Ras-Raf interaction using a computational combinatorial algorithm

J Zeng, T Nheu, A Zorzet, B Catimel, E Nice, H Maruta, AW Burgess, HR Treutlein

PROTEIN ENGINEERING | OXFORD UNIV PRESS | Published : 2001

Abstract

Drugs that inhibit important protein-protein interactions are hard to find either by screening or rational design, at least so far. Most drugs on the market that target proteins today are therefore aimed at well-defined binding pockets in proteins. While computer-aided design is widely used to facilitate the drug discovery process for binding pockets, its application to the design of inhibitors that target the protein surface initially seems to be limited because of the increased complexity of the task. Previously, we had started to develop a computational combinatorial design approach based on the well-known 'multiple copy simultaneous search' (MCSS) procedure to tackle this problem. In ord..

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