Conformations sampled in simulations of apo-form PR LBD

This item is shared privately

dataset

modified on 2016-11-09, 15:58

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.

Funding

This study is supported and financed by Nanyang Technological University Tier 1 Grant RG 138/15.

Keywords

Umbrella sampling simulations Metadynamics Simulations molecular dynamics simulation Progesterone Receptor Nuclear Receptor Biophysics

Licence

CC BY 4.0

Conformations sampled in simulations of apo-form PR LBD

Funding

This study is supported and financed by Nanyang Technological University Tier 1 Grant RG 138/15.

Categories

Keywords

Licence