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MEPSAnd: Minimum Energy Path Surface Analysis over n-dimensional surfaces
SUMMARY: n-dimensional energy surfaces are becoming computationally accessible, yet interpreting their information is not straightforward. We present MEPSAnd, an open source GUI-based program that natively calculates minimum energy paths across energy surfaces of any number of dimensions. Among other features, MEPSAnd can compute the path through lowest barriers and automatically provide a set of alternative paths. MEPSAnd offers distinct plotting solutions as well as direct python scripting. AVAILABILITY: MEPSAnd is freely available (under GPLv3 license) at: http://bioweb.cbm.uam.es/software/MEPSAnd/. SUPPLEMENTARY INFORMATION: Supplementary data are available at Bioinformatics online.
pmid: 31418769 Bioinformatics 影响因子: 4.531 发表日期: 20190816 官网 免费下载
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