𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Fractionation of peptide with disulfide bond for quantum mechanical calculation of interaction energy with molecules

✍ Scribed by Chen, X. H.; Zhang, D. W.; Zhang, J. Z. H.


Book ID
120735507
Publisher
American Institute of Physics
Year
2004
Tongue
English
Weight
521 KB
Volume
120
Category
Article
ISSN
0021-9606

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Density functional theory augmented with
✍ Petr Jurečka; JiΕ™Γ­ ČernΓ½; Pavel Hobza; Dennis R. Salahub πŸ“‚ Article πŸ“… 2007 πŸ› John Wiley and Sons 🌐 English βš– 202 KB

## Abstract Standard density functional theory (DFT) is augmented with a damped empirical dispersion term. The damping function is optimized on a small, well balanced set of 22 van der Waals (vdW) complexes and verified on a validation set of 58 vdW complexes. Both sets contain biologically relevan