SAM simulation analysis
收藏Figshare2018-02-21 更新2026-04-08 收录
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https://figshare.com/articles/dataset/SAM_simulation_analysis/5271913/1
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资源简介：
Analysis of interatomic distances for NOE NMR fitting before and after clustering into individual conformer clusters c1-c6.<br>Data for 3 different simulations: HF parameterisation, PCM parameterisation and inverted R-S isomer with PCMfitting.<br>
创建时间：
2018-02-21
