𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Vibrational spectroscopy and the development of new force fields for biological molecules

✍ Scribed by R. B. Gerber; G. M. Chaban; S. K. Gregurick; B. Brauer

Publisher
Wiley (John Wiley & Sons)
Year
2003
Tongue
English
Weight
858 KB
Volume
68
Category
Article
ISSN
0006-3525

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

Development and validation of COMPASS fo
Development and validation of COMPASS force field parameters for molecules with aliphatic azide chains
✍ Michael J. McQuaid; Huai Sun; David Rigby πŸ“‚ Article πŸ“… 2003 πŸ› John Wiley and Sons 🌐 English βš– 114 KB

To establish force-field-based (molecular) modeling capability that will accurately predict condensed-phase thermophysical properties for materials containing aliphatic azide chains, potential parameters for atom types unique to such chains have been developed and added to the COMPASS force field. T

CHARMM general force field: A force fiel
CHARMM general force field: A force field for drug-like molecules compatible with the CHARMM all-atom additive biological force fields
✍ K. Vanommeslaeghe; E. Hatcher; C. Acharya; S. Kundu; S. Zhong; J. Shim; E. Daria πŸ“‚ Article πŸ“… 2009 πŸ› John Wiley and Sons 🌐 English βš– 643 KB

## Abstract The widely used CHARMM additive all‐atom force field includes parameters for proteins, nucleic acids, lipids, and carbohydrates. In the present article, an extension of the CHARMM force field to drug‐like molecules is presented. The resulting CHARMM General Force Field (CGenFF) covers a

Development of the force field parameter
Development of the force field parameters for phosphoimidazole and phosphohistidine
✍ Yuri A. Kosinsky; Pavel E. Volynsky; Philippe Lagant; Gerard Vergoten; Ei-Ichiro πŸ“‚ Article πŸ“… 2004 πŸ› John Wiley and Sons 🌐 English βš– 164 KB

## Abstract Phosphorylation of histidine‐containing proteins is a key step in the mechanism of many phosphate transfer enzymes (kinases, phosphatases) and is the first stage in a wide variety of signal transduction cascades in bacteria, yeast, higher plants, and mammals. Studies of structural and d