Peptide Drug Design using Alchemical Free Energy Calculation: an Application and Validation on agonists of Ghrelin Receptor: input, parameter and coordinate files of MD, TI and metadynamics simulations
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下载链接：
https://zenodo.org/record/10780923
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资源简介：
This includes all the input, parameter (topology) and coordinate (inpcrd) files of all the MD, TI and metadynamic simulations ran in Amber. PDB structures are also included.
创建时间：
2024-03-09
