Predicting mutations deleterious to function in beta-lactamase TEM1 using MM-GBSA.

ABSTRACT: Missense mutations can have disastrous effects on the function of a protein. And as a result, they have been implicated in numerous diseases. However, the majority of missense variants only have a nominal impact on protein function. Thus, the ability to distinguish these two classes of missense mutations would greatly aid drug discovery efforts in target identification and validation as well as medical diagnosis. Monitoring the co-occurrence of a given missense mutation and a disease phenotype provides a pathway for classifying functionally disrupting missense mutations. But, the occurrence of a specific missense variant is often extremely rare making statistical links challenging to infer. In this study, we benchmark a physics-based approach for predicting changes in stability, MM-GBSA, a

SUBMITTER: Negron C 

PROVIDER: S-EPMC6424398 | biostudies-literature | 2019

REPOSITORIES: biostudies-literature