Data from: Multiscale Modeling Shows How 2'-deoxy-ATP Rescues Ventricular Function in Heart Failure
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https://library.ucsd.edu/dc/object/bb83062613
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资源简介：
Molecular dynamics simulations carried out with AMBER20 https://ambermd.org/.
PDB Starting Structure: 1QVI.
Modeller used to add missing atoms https://salilab.org/modeller/.
ff14SB protein force field, TIP3P water force field, and metal ions modeled using the Li and Merz parameters.
Visualization carried out with VMD or UCSF Chimera https://www.ks.uiuc.edu/Research/vmd/, https://www.cgl.ucsf.edu/chimera/.
提供机构：
UC San Diego Library Digital Collections
创建时间：
2024-08-12
