Virtual screening and molecular dynamics simulations provide insight into repurposing drugs against SARS-CoV-2 variants Spike protein/ACE2 interface

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Location: Deutsche Nationalbibliothek Frankfurt am Main

ISSN: 2045-2322

Extent: Online-Ressource

Language: Englisch

Notes: online resource.

Bibliographic citation: Virtual screening and molecular dynamics simulations provide insight into repurposing drugs against SARS-CoV-2 variants Spike protein/ACE2 interface ; volume:13 ; number:1 ; day:27 ; month:1 ; year:2023 ; pages:1-15 ; date:12.2023
Scientific reports ; 13, Heft 1 (27.1.2023), 1-15, 12.2023

Creator: Pirolli, Davide
Righino, Benedetta
Camponeschi, Chiara
Ria, Francesco
Sante, Gabriele Di
Rosa, Maria Cristina De

Contributor: SpringerLink (Online service)

DOI: 10.1038/s41598-023-28716-8

URN: urn:nbn:de:101:1-2023041821252219681231

Rights: Open Access; Der Zugriff auf das Objekt ist unbeschränkt möglich.

Last update: 14.08.20252025, 2:49 AM CEST

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Pirolli, Davide
Righino, Benedetta
Camponeschi, Chiara
Ria, Francesco
Sante, Gabriele Di
Rosa, Maria Cristina De
SpringerLink (Online service)

Other Objects (12)

Publisher Correction: Virtual screening and molecular dynamics simulations provide insight into repurposing drugs against SARS-CoV-2 variants Spike protein/ACE2 interface

Spike residue 403 affects binding of coronavirus spikes to human ACE2

Atomistic insight into the essential binding event of ACE2-derived peptides to the SARS-CoV-2 spike protein

TPC1 mutants provide insight into SV channel function

Structural insight into the substrate recognition and transport mechanism of amino acid transporter complex ACE2-B0AT1 and ACE2-SIT1

Dual nature of human ACE2 glycosylation in binding to SARS-CoV-2 spike

Force-tuned avidity of spike variant-ACE2 interactions viewed on the single-molecule level

Mitochondrial DNAs provide insight into trypanosome phylogeny and molecular evolution

Substitution of T403R allows efficient utilization of human ACE2 by Spike proteins of bat coronaviruses

SARS‐CoV ‐2 spike protein enhances MAP4K3/GLK ‐induced ACE2 stability in COVID ‐19

Publisher Correction: Virtual screening and molecular dynamics simulations provide insight into repurposing drugs against SARS-CoV-2 variants Spike protein/ACE2 interface

Spike residue 403 affects binding of coronavirus spikes to human ACE2

Atomistic insight into the essential binding event of ACE2-derived peptides to the SARS-CoV-2 spike protein

TPC1 mutants provide insight into SV channel function

Structural insight into the substrate recognition and transport mechanism of amino acid transporter complex ACE2-B0AT1 and ACE2-SIT1

Dual nature of human ACE2 glycosylation in binding to SARS-CoV-2 spike

Force-tuned avidity of spike variant-ACE2 interactions viewed on the single-molecule level

Mitochondrial DNAs provide insight into trypanosome phylogeny and molecular evolution

Substitution of T403R allows efficient utilization of human ACE2 by Spike proteins of bat coronaviruses

SARS‐CoV ‐2 spike protein enhances MAP4K3/GLK ‐induced ACE2 stability in COVID ‐19

Publisher Correction: Virtual screening and molecular dynamics simulations provide insight into repurposing drugs against SARS-CoV-2 variants Spike protein/ACE2 interface

Spike residue 403 affects binding of coronavirus spikes to human ACE2

Atomistic insight into the essential binding event of ACE2-derived peptides to the SARS-CoV-2 spike protein

TPC1 mutants provide insight into SV channel function

Structural insight into the substrate recognition and transport mechanism of amino acid transporter complex ACE2-B0AT1 and ACE2-SIT1

Dual nature of human ACE2 glycosylation in binding to SARS-CoV-2 spike

Force-tuned avidity of spike variant-ACE2 interactions viewed on the single-molecule level

Mitochondrial DNAs provide insight into trypanosome phylogeny and molecular evolution

Substitution of T403R allows efficient utilization of human ACE2 by Spike proteins of bat coronaviruses

SARS‐CoV ‐2 spike protein enhances MAP4K3/GLK ‐induced ACE2 stability in COVID ‐19

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Virtual screening and molecular dynamics simulations provide insight into repurposing drugs against SARS-CoV-2 variants Spike protein/ACE2 interface

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Other Objects (12)

Publisher Correction: Virtual screening and molecular dynamics simulations provide insight into repurposing drugs against SARS-CoV-2 variants Spike protein/ACE2 interface

Spike residue 403 affects binding of coronavirus spikes to human ACE2

Spike residue 403 affects binding of coronavirus spikes to human ACE2

Atomistic insight into the essential binding event of ACE2-derived peptides to the SARS-CoV-2 spike protein

TPC1 mutants provide insight into SV channel function

Structural insight into the substrate recognition and transport mechanism of amino acid transporter complex ACE2-B0AT1 and ACE2-SIT1

Dual nature of human ACE2 glycosylation in binding to SARS-CoV-2 spike

Dual nature of human ACE2 glycosylation in binding to SARS-CoV-2 spike

Force-tuned avidity of spike variant-ACE2 interactions viewed on the single-molecule level

Mitochondrial DNAs provide insight into trypanosome phylogeny and molecular evolution

Substitution of T403R allows efficient utilization of human ACE2 by Spike proteins of bat coronaviruses

SARS‐CoV ‐2 spike protein enhances MAP4K3/GLK ‐induced ACE2 stability in COVID ‐19

Publisher Correction: Virtual screening and molecular dynamics simulations provide insight into repurposing drugs against SARS-CoV-2 variants Spike protein/ACE2 interface

Spike residue 403 affects binding of coronavirus spikes to human ACE2

Spike residue 403 affects binding of coronavirus spikes to human ACE2

Atomistic insight into the essential binding event of ACE2-derived peptides to the SARS-CoV-2 spike protein

TPC1 mutants provide insight into SV channel function

Structural insight into the substrate recognition and transport mechanism of amino acid transporter complex ACE2-B0AT1 and ACE2-SIT1

Dual nature of human ACE2 glycosylation in binding to SARS-CoV-2 spike

Dual nature of human ACE2 glycosylation in binding to SARS-CoV-2 spike

Force-tuned avidity of spike variant-ACE2 interactions viewed on the single-molecule level

Mitochondrial DNAs provide insight into trypanosome phylogeny and molecular evolution

Substitution of T403R allows efficient utilization of human ACE2 by Spike proteins of bat coronaviruses

SARS‐CoV ‐2 spike protein enhances MAP4K3/GLK ‐induced ACE2 stability in COVID ‐19

Publisher Correction: Virtual screening and molecular dynamics simulations provide insight into repurposing drugs against SARS-CoV-2 variants Spike protein/ACE2 interface

Spike residue 403 affects binding of coronavirus spikes to human ACE2

Spike residue 403 affects binding of coronavirus spikes to human ACE2

Atomistic insight into the essential binding event of ACE2-derived peptides to the SARS-CoV-2 spike protein

TPC1 mutants provide insight into SV channel function

Structural insight into the substrate recognition and transport mechanism of amino acid transporter complex ACE2-B0AT1 and ACE2-SIT1

Dual nature of human ACE2 glycosylation in binding to SARS-CoV-2 spike

Dual nature of human ACE2 glycosylation in binding to SARS-CoV-2 spike

Force-tuned avidity of spike variant-ACE2 interactions viewed on the single-molecule level

Mitochondrial DNAs provide insight into trypanosome phylogeny and molecular evolution

Substitution of T403R allows efficient utilization of human ACE2 by Spike proteins of bat coronaviruses

SARS‐CoV ‐2 spike protein enhances MAP4K3/GLK ‐induced ACE2 stability in COVID ‐19

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