This is a repository for backing up the simulation input files of different peptides complexed with PLCC for advanced sampling. System of interest include binding complexes such as PLCC/PLCG1-pep, PLCC/IR-pep and PLCC/ErbB2-pep. Theses input files for advanced sampling were the output files of short vanilla simulations with input files prepared by the procedure illustrated in the tutorial: Preparation of the Inputs Files for Advanced Sampling Simulations - Part 1.
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A repository for backing of simulation input files.
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