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Interpretation of CoMFA Results – A Probe Set Study Using Hydrophobic Fields

✍ Scribed by Pajeva, Ilza K. ;Wiese, Michael

Book ID
102661926
Publisher
John Wiley and Sons
Year
1999
Tongue
English
Weight
584 KB
Volume
18
Category
Article
ISSN
1611-020X

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✍ Ki Hwan Kim; Giovanni Greco; Ettore Novellino; Carlo Silipo; Antonio Vittoria 📂 Article 📅 1993 🏛 Springer Netherlands 🌐 English ⚖ 892 KB

The results of the GRID-Comparative Molecular Field Analysis (CoMFA) were compared with those of the SYBYL-CoMFA in a study of benzodiazepines. The results demonstrate that the hydrogen bonding function using the GRID H20 probe in a CoMFA can successfully describe the hydrophobic effects of substitu