Tryptophan-47 rotational isomerization in variant-3 scorpion neurotoxin. A combination thermodynamic perturbation and umbrella sampling study.

doi:10.1016/S0006-3495(90)82645-X

Back to search

Article

Tryptophan-47 rotational isomerization in variant-3 scorpion neurotoxin. A combination thermodynamic perturbation and umbrella sampling study.

Biophysical journal - 1 Jun 1990

Haydock C, Sharp J C, Prendergast F G

Abstract excerpt

A combination thermodynamic perturbation and umbrella sampling study predicts two free energy wells for the rotational isomerization of the variant-3 scorpion neurotoxin tryptophan-47 indole side chain. One well has the indole side chain in the crystallographic orientation; the other has the indo...

Topics

Algorithms
Computer Simulation
Genetic Variation
Isomerism
Mathematics
Models, Theoretical
Probability
Protein Conformation
Scorpion Venoms
Thermodynamics
Tryptophan

Community interpretation

Discuss the evidence

Ask a question, add context or challenge an interpretation. Community activity is separate from scientific evidence strength.

discussions

replies

Citations encouraged

Claims remain attributable.

No discussion yet

Be the first to add a careful, cited interpretation.