Accurate and Rigorous Prediction of the Changes in Protein Free Energies in a Large-Scale Mutation Scan

Angewandte Chemie - International Edition

Volumn 55, Issue 26, 2016, Pages 7364-7368

  Gapsys, Vytautas ^a   Michielssens, Servaas ^a   Seeliger, Daniel ^b   de Groot, Bert L ^a  

^a MAX PLANCK INSTITUTE FOR BIOPHYSICAL CHEMISTRY   (Germany)

^b BOEHRINGER INGELHEIM PHARMA GMBH AND CO KG   (Germany)

Author keywords

force field; free energy calculations; proteins; thermostability

Indexed keywords

BIOCHEMISTRY; CALCULATIONS; FORECASTING; PROTEINS; STABILITY; STATISTICAL MECHANICS; UNCERTAINTY ANALYSIS;

ENERGY PREDICTION; EXPERIMENTAL UNCERTAINTY; FORCE FIELDS; FORCE-FIELD APPROACHES; FREE ENERGY CHANGE; FREE-ENERGY CALCULATIONS; PROTEIN THERMOSTABILITIES; THERMOSTABILITY;

FREE ENERGY;

NEUROTENSIN RECEPTOR; NEUROTENSIN TYPE 1 RECEPTOR; PROTEIN BINDING;

CHEMISTRY; GENETICS; METABOLISM; MUTATION; PROTEIN STABILITY; THERMODYNAMICS;

MUTATION; PROTEIN BINDING; PROTEIN STABILITY; RECEPTORS, NEUROTENSIN; THERMODYNAMICS;

EID: 84992299222     PISSN: 14337851     EISSN: 15213773     Source Type: Journal    
DOI: 10.1002/anie.201510054     Document Type: Article

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