𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Role of water molecules in the KcsA protein channel by molecular dynamics calculations

✍ Scribed by Compoint, M.; Boiteux, C.; Huetz, P.; Ramseyer, C.; Girardet, C.

Book ID
120592811
Publisher
Royal Society of Chemistry
Year
2005
Tongue
English
Weight
990 KB
Volume
7
Category
Article
ISSN
1463-9076

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

Dynamics of water molecules buried in ca
Dynamics of water molecules buried in cavities of apolipoprotein E studied by molecular dynamics simulations and continuum electrostatic calculations
✍ Martine PrΓ©vost πŸ“‚ Article πŸ“… 2004 πŸ› Wiley (John Wiley & Sons) 🌐 English βš– 444 KB πŸ‘ 2 views

## Abstract Molecular dynamics (MD) simulations of several nanoseconds each were used to monitor the dynamic behavior of the five crystal water molecules buried in the interior of the N‐terminal domain of apolipoprotein E. These crystal water molecules are fairly well conserved in several apolipopr

Structural and dynamic roles of permanen
Structural and dynamic roles of permanent water molecules in ligand molecular recognition by chicken liver bile acid binding protein
✍ Piero Ricchiuto; Alessandro Guerini Rocco; Elisabetta Gianazza; Dario Corrada; T πŸ“‚ Article πŸ“… 2008 πŸ› John Wiley and Sons 🌐 English βš– 393 KB

## Abstract Chicken liver bile acid binding protein (cL‐BABP) crystallizes with water molecules in its binding site. To obtain insights on the role of internal water, we performed two 100 ns molecular dynamics (MD) simulations in explicit solvent for cL‐BABP, as __apo__ form and as a complex with t