Sciety

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
Reviewed by ScreenIT

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
Reviewed by ScreenIT

This article has 2 evaluationsAppears in 1 listLatest version Jul 29, 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
Reviewed by ScreenIT

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
Reviewed by ScreenIT

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
Reviewed by ScreenIT

This article has 1 evaluationAppears in 1 listLatest version Sep 30, 2020Latest 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
Reviewed by ScreenIT

This article has 1 evaluationAppears in 1 listLatest version Jan 7, 2021Latest activity Jan 8, 2021
S494 O-glycosylation site on the SARS-CoV-2 RBD affects the virus affinity to ACE2 and its infectivity; a molecular dynamics study

This article has 4 authors:
1. Shadi Rahnama
2. Maryam Azimzadeh Irani
3. Mehriar Amininasab
4. Mohammad Reza Ejtehadi
Reviewed by ScreenIT

This article has 1 evaluationAppears in 1 listLatest version Jul 26, 2021Latest activity Sep 16, 2020
Inhibitor binding influences the protonation states of histidines in SARS-CoV-2 main protease

This article has 19 authors:
1. Anna Pavlova
2. Diane L. Lynch
3. Isabella Daidone
4. Laura Zanetti-Polzi
5. Micholas Dean Smith
6. Chris Chipot
7. Daniel W. Kneller
8. Andrey Kovalevsky
9. Leighton Coates
10. Andrei A. Golosov
11. Callum J. Dickson
12. Camilo Velez-Vega
13. José S. Duca
14. Josh V. Vermaas
15. Yui Tik Pang
16. Atanu Acharya
17. Jerry M. Parks
18. Jeremy C. Smith
19. James C. Gumbart
Reviewed by ScreenIT

This article has 1 evaluationAppears in 1 listLatest version Sep 10, 2020Latest activity Sep 12, 2020
Environmental Dependence of the Structure of the C-terminal Domain of the SARS-CoV-2 Envelope Protein

This article has 7 authors:
1. Kundlik Gadhave
2. Ankur Kumar
3. Prateek Kumar
4. Shivani K. Kapuganti
5. Neha Garg
6. Michele Vendruscolo
7. Rajanish Giri
Reviewed by ScreenIT

This article has 1 evaluationAppears in 1 listLatest version Dec 29, 2020Latest activity Dec 30, 2020
Beyond Shielding: The Roles of Glycans in the SARS-CoV-2 Spike Protein

This article has 12 authors:
1. Lorenzo Casalino
2. Zied Gaieb
3. Jory A. Goldsmith
4. Christy K. Hjorth
5. Abigail C. Dommer
6. Aoife M. Harbison
7. Carl A. Fogarty
8. Emilia P. Barros
9. Bryn C. Taylor
10. Jason S. McLellan
11. Elisa Fadda
12. Rommie E. Amaro
Reviewed by ScreenIT

This article has 2 evaluationsAppears in 1 listLatest version Sep 23, 2020Latest activity Mar 1, 2021

Previous Page 75 of 93 Next

Biophysics

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

S494 O-glycosylation site on the SARS-CoV-2 RBD affects the virus affinity to ACE2 and its infectivity; a molecular dynamics study

Inhibitor binding influences the protonation states of histidines in SARS-CoV-2 main protease

Environmental Dependence of the Structure of the C-terminal Domain of the SARS-CoV-2 Envelope Protein

Beyond Shielding: The Roles of Glycans in the SARS-CoV-2 Spike Protein