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Jan H. Jensen
Jan H. Jensen obtained his PhD in theoretical chemistry in 1995 from Iowa State University working with Mark Gordon, where he continued as a postdoc until he joined the faculty at the University of Iowa in 1997. In 2006 he moved to the University of Copenhagen, where he is now professor of bio-computational chemistry.
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Some quick comments 1.The charge and spin state of each model should be defined. 2. Constraining CA atoms is pretty standard in such studies, but I haven’t seen CB atoms constr...
This preprint was submitted to PeerJ for peer review June 1, 2016
This document is the unedited Author's version of a Submitted Work that was subsequently accepted for publication in Journal of Physical Chemistry A, copyright © American Chemical...