๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Accurate Detection of Protein:Ligand Binding Sites Using Molecular Dynamics Simulations

โœ Scribed by Akshay Bhinge; Purbani Chakrabarti; Kavitha Uthanumallian; Kanika Bajaj; Kausik Chakraborty; Raghavan Varadarajan


Book ID
113918326
Publisher
Elsevier Science
Year
2004
Tongue
English
Weight
330 KB
Volume
12
Category
Article
ISSN
0969-2126

No coin nor oath required. For personal study only.


๐Ÿ“œ SIMILAR VOLUMES


Calculation of ligand binding free energ
โœ J. Marelius; T. Hansson; J. ร…qvist ๐Ÿ“‚ Article ๐Ÿ“… 1998 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 247 KB ๐Ÿ‘ 3 views

A recently developed method for predicting binding affinities in ligandแސreceptor complexes, based on interaction energy averaging and conformational sampling by molecular dynamics simulation, is presented. Polar and nonpolar contributions to the binding free energy are approximated by a linear scali