Solution Structure And Constrained Molecular Dynamics Study Of Vitamin B12 Conjugates Of The Anorectic Peptide PYY(3-36)
#50, published in ChemMedChem (11 (2016), 9, 1015-1020), DOI:cmdc.201600073. The key to molecular dynamics simulations is recycling – specifically, going into a first project with enough organization to know how to use everything in the next study. While that first successful connectivity table, parameter assignment, and RESP charge generation for something as Frankenstein-esque as vitamin …