The barrier for proton transport in aquaporins as a challenge for electrostatic models: The role of protein relaxation in mutational calculations

Proteins: Structure, Function and Genetics

Volumn 64, Issue 4, 2006, Pages 829-844

  Kato, Mitsunori ^a   Pisliakov, Andrei V ^a   Warshel, Arieh ^a  

^a UNIVERSITY OF SOUTHERN CALIFORNIA   (United States)

Author keywords

Aquaporins; Electrostatic calculations; EVB; Free energy perturbation; LRA; Membrane proteins; PMF; Proton transport; Water channel

Indexed keywords

AQUAPORIN; MEMBRANE PROTEIN; ESCHERICHIA COLI PROTEIN; GLPF PROTEIN, E COLI; PROTON; PROTON PUMP;

DIELECTRIC CONSTANT; DIPOLE; ELECTRICITY; IONIZATION; MUTATIONAL ANALYSIS; PRIORITY JOURNAL; PROTEIN FUNCTION; PROTON TRANSPORT; REVIEW; SIMULATION; SOLVATION; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; GENETICS; MUTATION; PHYSIOLOGY; PROTEIN SECONDARY STRUCTURE; THEORETICAL MODEL; THERMODYNAMICS;

AQUAPORINS; COMPUTER SIMULATION; ELECTROSTATICS; ESCHERICHIA COLI PROTEINS; MODELS, MOLECULAR; MODELS, THEORETICAL; MUTATION; PROTEIN STRUCTURE, SECONDARY; PROTON PUMPS; PROTONS; THERMODYNAMICS;

EID: 33748456949     PISSN: 08873585     EISSN: 10970134     Source Type: Journal    
DOI: 10.1002/prot.21012     Document Type: Review

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