Epik: a software program for pK( a ) prediction and protonation state generation for drug-like molec...
Epik: a software program for pK( a ) prediction and protonation state generation for drug-like molecules
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Netherlands: Springer Nature B.V
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Language
English
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Publisher
Netherlands: Springer Nature B.V
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Epik is a computer program for predicting pK(a) values for drug-like molecules. Epik can use this capability in combination with technology for tautomerization to adjust the protonation state of small drug-like molecules to automatically generate one or more of the most probable forms for use in further molecular modeling studies. Many medicinal ch...
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Epik: a software program for pK( a ) prediction and protonation state generation for drug-like molecules
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TN_cdi_proquest_miscellaneous_69077777
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https://devfeature-collection.sl.nsw.gov.au/record/TN_cdi_proquest_miscellaneous_69077777
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ISSN
0920-654X
E-ISSN
1573-4951
DOI
10.1007/s10822-007-9133-z
