Molecular Disassembly With Rrt-Like Algorithms

Abstract

This paper addresses the problem of computing pathways for a ligand to exit from the active site of a protein. Such problem can be formulated as a mechanical disassembly problem for two articulated objects. Its solution requires searching paths in a constrained high-dimensional configuration-space. Indeed, the ligand passageway inside the protein is often… (More)
DOI: 10.1109/ROBOT.2007.363982

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