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软件用于预测ligand binding/unbinding pathway and access tunnels
发布时间:2020-03-08

unbinding pathway:  SAMSON connection


binding pathway


CAVER Analyst from https://caver.cz/index.php?sid=121

CAVER Analyst is a software tool for calculation, analysis and real-time visualization of access tunnels in static and dynamic protein structures. It provides an intuitive graphic user interface for setting up the calculation and interactive exploration of identified tunnels and their characteristics. It integrates the CAVER 3.01 algorithms. The software can easily be applied for the analysis of single static structures, as well as for direct comparison of transport pathways in a set of homologous structures and for the study of their molecular dynamics.