Article

Computational Compensatory Mutation Discovery Approach: Predicting a PARP1 Variant Rescue Mutation

2021-11-21

Abstract excerpt

The prediction of protein mutations that affect function may be exploited for multiple uses. In the context of disease variants, the prediction of compensatory mutations that reestablish functional phenotypes could aid in the development of genetic therapies. In this work, we present an integrated approach that combines coevolutionary analysis and molecular dynamics (MD) simulations to discover functional compensa...

Topics

Open a Topic to create a Post that cites this publication.

Identifiers and source

Literature Corpus work: df97d05b-8633-5986-aa7c-d685f4a73037
DOI: 10.1101/2021.11.21.469407

Open publication

Related research

Semantic proximity does not establish scientific evidence.

Click a neighbor to travelStep 1 · 12 closest

Computational Compensatory Mutation Discovery Approach: Predicting a PARP1 Variant Rescue MutationDOI 10.1101/2021.11.21.469407Read

Computational compensatory mutation discovery approach: Predicting a PARP1 variant rescue mutation.Semantic proximity Read

MechPPI: Binding Mechanism-based Machine-Learning tool for Predicting Protein-Protein Binding Affinity Changes Upon MutationsSemantic proximity Read

In silico identification of rescue sites by double force scanning.Semantic proximity Read

PDA-MutPred: Reliable prediction of binding affinity change upon mutation in protein-DNA complexes.Semantic proximity Read

Exploring the Dynamic Interplay of Deleterious Variants on the RAF1-RAP1A Binding in Cancer: Conformational Analysis, Binding Free Energy, and Essential Dynamics.Semantic proximity Read

Analysis of E2F1 single-nucleotide polymorphisms reveals deleterious non-synonymous substitutions that disrupt E2F1-RB protein interaction in cancer.Semantic proximity Read

Protein structural robustness to mutations: an in silico investigation.Semantic proximity Read

Impact of a Cancer-Associated Mutation on Poly(ADP-ribose) Polymerase1 InhibitionSemantic proximity Read

A Molecular Dynamics Protocol for Rapid Prediction of EGFR Overactivation and Its Application to the Rare Mutations S768I, S768N, D761NSemantic proximity Read

Can correlated mutations in protein domain families be used for protein design?Semantic proximity Read

Analysis of Correlation Effects of Double Mutations in Enzymes: A Revised Residual-Contact Network Clique Model.Semantic proximity Read

Molecular dynamics simulations and statistical coupling analysis reveal functional coevolution network of oncogenic mutations in the CDKN2A-CDK6 complex.Semantic proximity Read