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CONFORMATIONAL ANALYSIS OF A CHAIN REVERSAL IN α-CHYMOTRYPSIN

✍ Scribed by Hurwitz, F. I. ;Hopfinger, A. J.

Book ID
115097260
Publisher
Wiley (Blackwell Publishing)
Year
2009
Tongue
English
Weight
447 KB
Volume
8
Category
Article
ISSN
0367-8377

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Conformational analysis by bond orbitals
Conformational analysis by bond orbitals with delocalization corrections: Rotation of the ser-195 side chain in α-chymotrypsin
✍ Peter R. Surján; Gábor Náray-Szabó; István Mayer 📂 Article 📅 1982 🏛 John Wiley and Sons 🌐 English ⚖ 423 KB

## Abstract A recently developed procedure for calculation of tails of localized molecular orbitals is applied in order to obtain approximate rotational potential curves. In order to calculate reliable rotational barriers, tails, originating from direct interactions between bonding and antibonding