Diffusion in Protein Crystals—A Computer Simulation | Zendy

Malek Kourosh | Zendy; Odijk Theo | Zendy; Coppens MarcOlivier | Zendy

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Diffusion in Protein Crystals—A Computer Simulation

Author(s) -

Malek Kourosh,

Odijk Theo,

Coppens MarcOlivier

Publication year - 2004

Publication title -

chemphyschem

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 1.016

H-Index - 140

eISSN - 1439-7641

pISSN - 1439-4235

DOI - 10.1002/cphc.200400116

Subject(s) - steric effects , chemical physics , ion , electrostatics , protein crystallization , nanoporous , chemistry , molecular dynamics , diffusion , molecule , brownian dynamics , lysozyme , crystallography , brownian motion , materials science , nanotechnology , computational chemistry , physics , stereochemistry , thermodynamics , organic chemistry , quantum mechanics , crystallization , biochemistry

Nanoporous protein crystals: Long‐time Brownian dynamics simulations provide first insights into electrostatic and steric confinement effects on the mobility of probes in protein crystals. A transition is shown between the dominance of electrostatic effects for small ions and steric confinement for larger ions. The picture shows part of the trajectory of a charged probe through a pore of a lysozyme molecule.

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