Article

Benchmarking the accuracy of structure-based binding affinity predictors on Spike-ACE2 Deep Mutational Interaction Set

2022-04-18

Abstract excerpt

<h4>ABSTRACT</h4> Since the start of COVID-19 pandemic, a huge effort has been devoted to understanding the Spike (SARS-CoV-2)-ACE2 recognition mechanism. To this end, two deep mutational scanning studies traced the impact of all possible mutations across Receptor Binding Domain (RBD) of Spike and catalytic domain of human ACE2. By concentrating on the interface mutations of these experimental data, we benchmarke...

Topics

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

Identifiers and source

Literature Corpus work: b37fd681-a02d-5a33-ad67-aeda588f55bf
DOI: 10.1101/2022.04.18.488633

Open publication

Related research

Semantic proximity does not establish scientific evidence.

Click a neighbor to travelStep 1 · 12 closest

Benchmarking the accuracy of structure-based binding affinity predictors on Spike-ACE2 Deep Mutational Interaction SetDOI 10.1101/2022.04.18.488633Read

Benchmarking the accuracy of structure-based binding affinity predictors on Spike-ACE2 deep mutational interaction set.Semantic proximity Read

Evolutionary and structural analysis elucidates mutations on SARS-CoV2 spike protein with altered human ACE2 binding affinity.Semantic proximity Read

Structural-bioinformatics analysis of SARS-CoV-2 variants reveals higher hACE2 receptor binding affinity for Omicron B.1.1.529 spike RBD compared to wild-type reference.Semantic proximity Read

Insilico study on the effect of SARS-CoV-2 RBD hotspot mutants' interaction with ACE2 to understand the binding affinity and stability.Semantic proximity Read

In silico analysis of SARS-CoV-2 spike protein N501Y and N501T mutation effects on human ACE2 binding.Semantic proximity Read

In silico binding profile characterization of SARS-CoV-2 spike protein and its mutants bound to human ACE2 receptor.Semantic proximity Read

The role of S477N mutation in the molecular behavior of SARS-CoV-2 spike protein: An in-silico perspective.Semantic proximity Read

Structural Modeling of the SARS-CoV-2 Spike/Human ACE2 Complex Interface can Identify High-Affinity Variants Associated with Increased Transmissibility.Semantic proximity Read

A 3D structural SARS-CoV-2-human interactome to explore genetic and drug perturbations.Semantic proximity Read

A multi-tier computational screening framework to effectively search the mutational space of SARS-CoV-2 receptor binding motif to identify mutants with enhanced ACE2 binding abilities.Semantic proximity Read

Structural modeling of the SARS-CoV-2 Spike/human ACE2 complex interface can identify high-affinity variants associated with increased transmissibilitySemantic proximity Read