Conformations sampled in simulations of apo-form PR LBD
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https://figshare.com/articles/dataset/Conformations_sampled_in_simulations_for_apo-form_PR_LBD/4089723
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资源简介：
This part contains PR LBD conformations sampled from MD, umbrella sampling and metadynamics.
Structures from cMD, names apo2ovhL1 to L7, and holo2ovhL1 to L9.Structures from umbrella samping, names usL1, usL2.1 to usL2.10.Structures from metadynamics, names mL1 to mL8.
In the result part of the paper, the conformations were mentioned and described. Anything not clear, please refer to the paper (Zheng L, Lin VC, Mu Y (2016) Exploring Flexibility of Progesterone Receptor Ligand Binding Domain Using Molecular Dynamics. PLoS ONE 11(11): e0165824. doi:10.1371/journal.pone.0165824) or email me, or leave a comment here.
创建时间：
2016-10-27
