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Ab initio studies of some amino acid residue complexes with 4-mercaptopyridine as a model for thymitaq (AG337), an inhibitor of thymidylate synthase.
Cancer Invest. 1999;17(6):396-401. doi: 10.3109/07357909909021431.
Cancer Invest. 1999.
PMID: 10434950
Quantum chemical studies employing an ab initio combination approach on the binding of the bis-benzimidazole Hoechst 33258 to the minor groove of DNA.
Sapse AM, Sapse D, Jain DC, Lown JW.
Sapse AM, et al.
J Biomol Struct Dyn. 1995 Feb;12(4):857-68. doi: 10.1080/07391102.1995.10508781.
J Biomol Struct Dyn. 1995.
PMID: 7540015
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Ab initio studies of receptor interactions with AMPA ((S)-2-amino-3-(3-hydroxy-5-methyl-4-isoxazolyl) propionic acid) and kainic acid (2S-(2 alpha, 3 beta, 4 beta))-2-carboxy-4-(1-methylethenyl)-3-pyrrolidineacetic acid.
Champeil E, Proni G, Sapse D.
Champeil E, et al.
J Mol Model. 2009 Sep;15(9):1109-17. doi: 10.1007/s00894-009-0460-y. Epub 2009 Feb 21.
J Mol Model. 2009.
PMID: 19234729
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A step on the path in the discovery of new latent fingerprint development reagents: substituted Ruhemann's purples and implications for the law.
Sapse D, Petraco ND.
Sapse D, et al.
J Mol Model. 2007 Aug;13(8):943-8. doi: 10.1007/s00894-007-0220-9. Epub 2007 Jun 9.
J Mol Model. 2007.
PMID: 17558524
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