IMASL 20939
INSTITUTO DE MATEMATICA APLICADA DE SAN LUIS "PROF. EZIO MARCHI"
Unidad Ejecutora - UE
congresos y reuniones científicas
Título:
CheShift 2.0: a Quantum-Mechanical-Derived 13Ca Chemical Shift Server for Protein Structure Validation
Autor/es:
VILA JA, ARNAUTOVA YA MARTIN OA, SCHERAGA HA
Reunión:
Congreso; 24th Annual Symposium of the Protein Society. San Diego, California. USA. August 2010; 2010
Resumen:
We present an upgrade of our CheShift server, version 2.0, which now includes nearest-neighbor corrections due to proline-effects and a pH-dependent computation of the chemical shifts for both tautomers of the histidine residue. A series of applications will demonstrate the improvements of the predicted 13Ca chemical shifts for proteins, with respect to the original 1.0 version.
