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Exhaustive mutagenesis in silico: multicoordinate free energy calculations on proteins and peptides

Autor: J W, Pitera, P A, Kollman

Publikováno v: Proteins. 41(3)

We have extended and applied a multicoordinate free energy method, chemical Monte Carlo/Molecular Dynamics (CMC/MD), to calculate the relative free energies of different amino acid side-chains. CMC/MD allows the calculation of the relative free energ

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=pmid________::446ca820da17194f17ff5876b8f1be22
https://pubmed.ncbi.nlm.nih.gov/11025549

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Biochemical characterization and crystallographic structure of an Escherichia coli protein from the phosphotriesterase gene family

Autor: J L, Buchbinder, R C, Stephenson, M J, Dresser, J W, Pitera, T S, Scanlan, R J, Fletterick

Publikováno v: Biochemistry. 37(15)

Phosphotriesterase homology protein (PHP) is a member of a recently discovered family of proteins related to phosphotriesterase, a hydrolytic, bacterial enzyme with an unusual substrate specificity for synthetic organophosphate triesters and phosphor

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=pmid________::a3d1d714276448467e81385770970aff
https://pubmed.ncbi.nlm.nih.gov/9548740

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