Molecular Dynamics Simulations of 441 Two-Residue Peptides in Aqueous Solution: Conformational Preferences and Neighboring Residue Effects with the Amber ff99SB-ildn-nmr Force Fiel...

Por Li, Shuxiang, Andrews, Casey T., Frembgen-Kesner, Tamara, Miller, Mark S., Siemonsma, Stephen L., Collingsworth, Timothy D., Rockafellow, Isaac T., Ngo, Nguyet Anh, Campbell, Brady A., Brown, Reid F., Guo, Chengxuan, Schrodt, Michael, Liu, Yu-Tsan, Elcock, Adrian H.
Publicado no J Chem Theory Comput (2015)