Discover Community Create You

Loading publication...

Noodle always counts identifier-free feature events for service operation. With your permission, Google Analytics can also estimate audience and engagement. Search text, publication identifiers, cookies, IP addresses and browser fingerprints are never included in Noodle's first-party event counters.

Privacy details

Article

Computational Hot-Spot Analysis of the SARS-CoV-2 Receptor Binding Domain/ACE2 Complex*.

Chembiochem : a European journal of chemical biology - 6 Apr 2021

Rosario Pedro A, McNaughton Brian R

Abstract excerpt

Infection and replication of SARS CoV-2 (the virus that causes COVID-19) requires entry to the interior of host cells. In humans, a protein-protein interaction (PPI) between the SARS CoV-2 receptor-binding domain (RBD) and the extracellular peptidase domain of ACE2 on the surface of cells in the lower respiratory tract is an initial step in the entry pathway. Inhibition of the SARS CoV-2 RBD/ACE2 PPI is currently...

Read the complete abstract on PubMed

Topics

Share this publication in a Topic to start or enrich a Post.

Share to Angiotensin-Converting Enzyme 2
Share to Computer Simulation

Methodology Data sources Editorial policy Privacy About Contact Helena Bioinformatics

Share to Models, Molecular

Share to Protein Binding

Share to Protein Interaction Domains and Motifs

Share to SARS-CoV-2

Share to Spike Glycoprotein, Coronavirus

Share to Static Electricity

Source

Open in PubMed Open full text

Identifiers

PMID: 33174669
DOI: 10.1002/cbic.202000562
PMCID: PMC8284874

Provenance

PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 3 Sept 2026.

Related research

Semantic proximity does not establish scientific evidence.

Research trail→

Click a neighbor to travelStep 1 · 12 closest

Computational Hot-Spot Analysis of the SARS-CoV-2 Receptor Binding Domain/ACE2 Complex*.PMID 33174669Read ↗

High Throughput Designing and Mutational Mapping of RBD-ACE2 Interface Guide Non-Conventional Therapeutic Strategies for COVID-19Semantic proximity Read ↗

Computational optimization of the SARS-CoV-2 receptor-binding-motif affinity for human ACE2Semantic proximity Read ↗

Computational Prediction of Mutational Effects on the SARS-CoV-2 Binding by Relative Free Energy CalculationsSemantic 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 ↗

The Disruption of SARS-CoV-2 RBD/ACE-2 Complex by Ubrogepant Is Mediated by Interface HydrationSemantic proximity Read ↗

Computational Prediction of Mutational Effects on SARS-CoV-2 Binding by Relative Free Energy Calculations.Semantic proximity Read ↗

Structural and molecular basis of the epistasis effect in enhanced affinity between SARS-CoV-2 KP.3 and ACE2Semantic proximity Read ↗

Mutation-driven adaptation of ACE2-RBD binding revealed by integrative molecular dynamics analysis.Semantic proximity Read ↗

Allosteric communication between ACE2 active site and binding interface with SARS-CoV-2.Semantic proximity Read ↗

Molecular insights into the differential dynamics of SARS-CoV-2 variants of concern.Semantic proximity Read ↗

Investigation of ACE2 N-terminal fragments binding to SARS-CoV-2 Spike RBDSemantic proximity Read ↗

Rationally Designed, ACE2 Mimetic Binder to the SARS Cov-2 Associated Spike Protein for COVID-19 Therapeutics and BeyondSemantic proximity Read ↗

⌁Select a neighboring publication to make it the new centre.