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

Investigation of nonsynonymous mutations in the spike protein of SARS-CoV-2 and its interaction with the ACE2 receptor by molecular docking and MM/GBSA approach.

Computers in biology and medicine - 1 Aug 2021

Aljindan Reem Y, Al-Subaie Abeer M, Al-Ohali Ahoud I, Kumar D Thirumal, Doss C George Priya, Kamaraj Balu

Abstract excerpt

COVID-19 is an infectious and pathogenic viral disease caused by SARS-CoV-2 that leads to septic shock, coagulation dysfunction, and acute respiratory distress syndrome. The spreading rate of SARS-CoV-2 is higher than MERS-CoV and SARS-CoV. The receptor-binding domain (RBD) of the Spike-protein (S-protein) interacts with the human cells through the host angiotensin-converting enzyme 2 (ACE2) receptor. However,...

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 COVID-19

Methodology Data sources Editorial policy Privacy About Contact Helena Bioinformatics

Share to Molecular Docking Simulation

Share to Molecular Dynamics Simulation

Share to Peptidyl-Dipeptidase A

Share to Protein Binding

Share to SARS-CoV-2

Share to Spike Glycoprotein, Coronavirus

Source

Open in PubMed Open full text

Identifiers

PMID: 34346317
DOI: 10.1016/j.compbiomed.2021.104654
PMCID: PMC8282961

Provenance

PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 7 Sept 2026. Manifest publication-graph-cohort-2026-09-07.1.

Source receipt: pubmed, retrieved 7 Sept 2026.

Related research

Semantic proximity does not establish scientific evidence.

Research trail→

Click a neighbor to travelStep 1 · 12 closest

Investigation of nonsynonymous mutations in the spike protein of SARS-CoV-2 and its interaction with the ACE2 receptor by molecular docking and MM/GBSA approach.PMID 34346317Read ↗

Evaluation of the Effect of D614g, N501y and S477n Mutation in Sars-Cov-2 through Computational ApproachSemantic proximity Read ↗

Systemic Effects of Missense Mutations on SARS-CoV-2 Spike Glycoprotein Stability and Receptor Binding AffinitySemantic proximity Read ↗

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

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

Systemic effects of missense mutations on SARS-CoV-2 spike glycoprotein stability and receptor-binding affinitySemantic proximity Read ↗

Assessment of mutations on RBD in the Spike protein of SARS-CoV-2 Alpha, Delta and Omicron variants.Semantic proximity Read ↗

Analyzing the interaction of human ACE2 and RBD of spike protein of SARS-CoV-2 in perspective of Omicron variantSemantic proximity Read ↗

Elucidating the role of N440K mutation in SARS-CoV-2 spike - ACE-2 binding affinity and COVID-19 severity by virtual screening, molecular docking and dynamics approach.Semantic proximity Read ↗

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

Mutational Stability Profiling and Functional Analysis of Spike Protein in Indian Sars Cov-2 Delta Variants: an in Silico AnalysisSemantic proximity Read ↗

Mutation informatics: SARS-CoV-2 receptor-binding domain of the spike protein.Semantic proximity Read ↗

Evolutionary trajectory of receptor binding specificity and promiscuity of the spike protein of SARS-CoV-2Semantic proximity Read ↗

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