Automation of the CHARMM General Force Field (CGenFF) I: bond perception and atom typing.

scientific article

Automation of the CHARMM General Force Field (CGenFF) I: bond perception and atom typing. is …
instance of (P31):
scholarly articleQ13442814

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P8978DBLP publication IDjournals/jcisd/VanommeslaegheM12
P356DOI10.1021/CI300363C
P932PMC publication ID3528824
P698PubMed publication ID23146088

P50authorKenno VanommeslaegheQ38318385
Alex MacKerellQ57907659
P2093author name stringA D MacKerell
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Finding Chemical Records by Digital ComputersQ39811432
Optimization of the CHARMM additive force field for DNA: Improved treatment of the BI/BII conformational equilibrium.Q41476736
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Impact of 2'-hydroxyl sampling on the conformational properties of RNA: update of the CHARMM all-atom additive force field for RNA.Q42226830
Improved treatment of the protein backbone in empirical force fields.Q44735024
Computer program for finding all possible cycles in graphs.Q49820805
Counterexamples in chemical ring perception.Q52001105
P433issue12
P921main subjectautomationQ184199
CHARMMQ902642
force fieldQ1341441
P304page(s)3144-3154
P577publication date2012-11-28
P1433published inJournal of Chemical Information and ModelingQ3007982
P1476titleAutomation of the CHARMM General Force Field (CGenFF) I: bond perception and atom typing
P478volume52

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