ArticleJournal of chemical theory and computation2014
Predicting the Impact of Missense Mutations on Protein-Protein Binding Affinity.
Article in Journal of chemical theory and computation, 2014. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 68 papers.
What it found
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
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Who cites it
68 citing papers in PubMed, 124 citations in OpenAlex.
- Prot-ΔΔG: Prediction of protein-protein binding affinity changes upon mutations with pre-training strategies.Journal of computer-aided molecular design · 2026Article
- Protein domain-specific genotype-phenotype correlation study of neurofibromatosis type 1.Scientific reports · 2025Article
- Systematic evaluation of predictors for binding free energy changes upon mutations in protein complexes.Briefings in bioinformatics · 2025Article
- Autism-Associated PTCHD1 Missense Variants Bind to the SNARE-Associated Protein SNAPIN but Exhibit Impaired Subcellular Trafficking.Biological psychiatry global open science · 2025Article
- Bioinformatics-Based Comparative Analysis of the Human Retina Proteome.Proteomics. Clinical applications · 2025Article
- Prognostic Modeling of Deleterious IDUA Mutations L238Q and P385R in Hurler Syndrome Through Molecular Dynamics Simulations.Pharmaceuticals (Basel, Switzerland) · 2025Article
- ProBASS-a language model with sequence and structural features for predicting the effect of mutations on binding affinity.Bioinformatics (Oxford, England) · 2025Article
- Decoding the functional impact of the cancer genome through protein-protein interactions.Nature reviews. Cancer · 2025Review
- Systematic investigation of machine learning on limited data: A study on predicting protein-protein binding strength.Computational and structural biotechnology journal · 2024Article
- MPA-MutPred: a novel strategy for accurately predicting the binding affinity change upon mutation in membrane protein complexes.Briefings in bioinformatics · 2024Article
- Deciphering GB1's Single Mutational Landscape: Insights from MuMi Analysis.The journal of physical chemistry. B · 2024Article
- Assessing the functional impact of protein binding site definition.Protein science : a publication of the Protein Society · 2024Article
- Identification and mechanism determination of the efflux pump subunit amrB gene mutations linked to gentamicin susceptibility in clinical Burkholderia pseudomallei from Malaysian Borneo.Molecular genetics and genomics : MGG · 2024Article
- A mutation-induced drug resistance database (MdrDB).Communications chemistry · 2023Article
- PSnpBind-ML: predicting the effect of binding site mutations on protein-ligand binding affinity.Journal of cheminformatics · 2023Article
- Article
- VariBench, new variation benchmark categories and data sets.Frontiers in bioinformatics · 2023Article
- Identification ofInternational journal of molecular sciences · 2022Article
- Oligomeric interactions maintain active-site structure in a noncooperative enzyme family.The EMBO journal · 2022Article
- Predicting the mutation effects of protein-ligand interactions via end-point binding free energy calculations: strategies and analyses.Journal of cheminformatics · 2022Article
8 more citing papers are in PubMed but not listed here.
Corrections and comments
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Authors and funding
4 authors at 3 institutions in 1 country.
Funding
Abstract
The crucial prerequisite for proper biological function is the protein's ability to establish highly selective interactions with macromolecular partners. A missense mutation that alters the protein binding affinity may cause significant perturbations or complete abolishment of the function, potentially leading to diseases. The availability of computational methods to evaluate the impact of mutations on protein-protein binding is critical for a wide range of biomedical applications. Here, we report an efficient computational approach for predicting the effect of single and multiple missense mutations on protein-protein binding affinity. It is based on a well-tested simulation protocol for structure minimization, modified MM-PBSA and statistical scoring energy functions with parameters optimized on experimental sets of several thousands of mutations. Our simulation protocol yields very good agreement between predicted and experimental values with Pearson correlation coefficients of 0.69 and 0.63 and root-mean-square errors of 1.20 and 1.90 kcal mol
Identifiers
What OpenQuestion holds
Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.