Molecular electrostatic potential MEP values on the van der Waals surfaces of 20 amino acids were computed using experimental geometries and four ลฝ . ลฝ . different types of charge distributions, that is, i potential-derived CHelpG charges ลฝ . obtained from ab initio SCF calculations using the 3-21G
โฆ LIBER โฆ
Molecular electrostatic potential and field as descriptors of hydrogen bonding and molecular activity. Effects of hybridization displacement charge
โ Scribed by Anil Kumar; C.Gopi Mohan; P.C. Mishra
- Book ID
- 113258734
- Publisher
- Elsevier Science
- Year
- 1996
- Tongue
- English
- Weight
- 801 KB
- Volume
- 361
- Category
- Article
- ISSN
- 0166-1280
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