Posted: November 4th, 2017

Using chains B and Q of 2DVQ, please carry out 2 ns simulation of the BRD2-H4 complex in explicit solvent,

Using chains B and Q of 2DVQ, please carry out 2 ns simulation of the BRD2-H4 complex in explicit solvent, and submit a lab report regarding the structural stability of BRD2, H4 peptide, and the whole complex. Please pay particular attention to the interaction of ALY of H4 with BRD2, as well as water molecules in the ALY binding pocket.

(This is based on tutorial:

http://ambermd.org/tutorials/basic/tutorial5/  )