Sciety

Computational optimization of the SARS-CoV-2 receptor-binding-motif affinity for human ACE2

This article has 2 authors:
1. Savvas Polydorides
2. Georgios Archontis
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This article has 1 evaluationAppears in 1 listLatest version Jul 1, 2021Latest activity Jul 21, 2020
Temperature effect on the SARS-CoV-2: A molecular dynamics study of the spike homotrimeric glycoprotein

This article has 5 authors:
1. Didac Martí
2. Juan Torras
3. Oscar Bertran
4. Pau Turon
5. Carlos Alemán
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This article has 1 evaluationAppears in 1 listLatest version Jan 1, 2021Latest activity Oct 22, 2020
The SARS-CoV-2 Spike variant D614G favors an open conformational state

This article has 6 authors:
1. Rachael A. Mansbach
2. Srirupa Chakraborty
3. Kien Nguyen
4. David C. Montefiori
5. Bette Korber
6. S. Gnanakaran
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This article has 1 evaluationAppears in 1 listLatest version Apr 16, 2021Latest activity Jul 27, 2020
A Tethered Ligand Assay to Probe the SARS-CoV-2 ACE2 Interaction under Constant Force

This article has 7 authors:
1. Magnus S. Bauer
2. Sophia Gruber
3. Lukas F. Milles
4. Thomas Nicolaus
5. Leonard C. Schendel
6. Hermann E. Gaub
7. Jan Lipfert
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This article has 1 evaluationAppears in 1 listLatest version Sep 28, 2020Latest activity Sep 30, 2020
Molecular dynamics and in silico mutagenesis on the reversible inhibitor-bound SARS-CoV-2 main protease complexes reveal the role of lateral pocket in enhancing the ligand affinity

This article has 6 authors:
1. Ying Li Weng
2. Shiv Rakesh Naik
3. Nadia Dingelstad
4. Miguel R. Lugo
5. Subha Kalyaanamoorthy
6. Aravindhan Ganesan
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This article has 1 evaluationAppears in 1 listLatest version Apr 1, 2021Latest activity Nov 2, 2020
Allosteric Inhibition of the SARS‐CoV‐2 Main Protease: Insights from Mass Spectrometry Based Assays**

This article has 11 authors:
1. Tarick J. El‐Baba
2. Corinne A. Lutomski
3. Anastassia L. Kantsadi
4. Tika R. Malla
5. Tobias John
6. Victor Mikhailov
7. Jani R. Bolla
8. Christopher J. Schofield
9. Nicole Zitzmann
10. Ioannis Vakonakis
11. Carol V. Robinson
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This article has 2 evaluationsAppears in 1 listLatest version Oct 15, 2020Latest activity Jul 30, 2020
Computational modeling of protein conformational changes - Application to the opening SARS-CoV-2 spike

This article has 4 authors:
1. Anna Kucherova
2. Selma Strango
3. Shahar Sukenik
4. Maxime Theillard
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This article has 2 evaluationsAppears in 1 listLatest version Nov 1, 2021Latest activity Oct 30, 2020
Characterization of Structural and Energetic Differences between Conformations of the SARS-CoV-2 Spike Protein

This article has 5 authors:
1. Rodrigo A. Moreira
2. Horacio V. Guzman
3. Subramanian Boopathi
4. Joseph L. Baker
5. Adolfo B. Poma
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This article has 1 evaluationAppears in 1 listLatest version Nov 26, 2020Latest activity Nov 3, 2020
Hallmarks of Alpha- and Betacoronavirus non-structural protein 7+8 complexes

This article has 13 authors:
1. Boris Krichel
2. Ganesh Bylapudi
3. Christina Schmidt
4. Clement Blanchet
5. Robin Schubert
6. Lea Brings
7. Martin Koehler
8. Renato Zenobi
9. Dmitri Svergun
10. Kristina Lorenzen
11. Ramakanth Madhugiri
12. John Ziebuhr
13. Charlotte Uetrecht
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This article has 1 evaluationAppears in 1 listLatest version Mar 5, 2021Latest activity Oct 4, 2020
Decreased Interfacial Dynamics Caused by the N501Y Mutation in the SARS-CoV-2 S1 Spike:ACE2 Complex

This article has 3 authors:
1. Wesam S. Ahmed
2. Angelin M. Philip
3. Kabir H. Biswas
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This article has 1 evaluationAppears in 1 listLatest version Jul 22, 2022Latest activity Jan 8, 2021

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Biophysics

Computational optimization of the SARS-CoV-2 receptor-binding-motif affinity for human ACE2

Temperature effect on the SARS-CoV-2: A molecular dynamics study of the spike homotrimeric glycoprotein

The SARS-CoV-2 Spike variant D614G favors an open conformational state

A Tethered Ligand Assay to Probe the SARS-CoV-2 ACE2 Interaction under Constant Force

Molecular dynamics and in silico mutagenesis on the reversible inhibitor-bound SARS-CoV-2 main protease complexes reveal the role of lateral pocket in enhancing the ligand affinity

Allosteric Inhibition of the SARS‐CoV‐2 Main Protease: Insights from Mass Spectrometry Based Assays**

Computational modeling of protein conformational changes - Application to the opening SARS-CoV-2 spike

Characterization of Structural and Energetic Differences between Conformations of the SARS-CoV-2 Spike Protein

Hallmarks of Alpha- and Betacoronavirus non-structural protein 7+8 complexes

Decreased Interfacial Dynamics Caused by the N501Y Mutation in the SARS-CoV-2 S1 Spike:ACE2 Complex