Biophysics

Free energy landscapes of KcsA inactivation

1. Sergio Pérez-Conesa
2. Lucie Delemotte

• Curated by eLife

  eLife assessment

  In this valuable study, advanced simulation methodologies are used to extract the mechanisms of inactivation for the potassium ion channel KcsA. The string method approach provides solid evidence that reveal features associated with the interplay between gate size and collapse of the selectivity filter, as well as remarkable differences between different force fields. While this manuscript does not address recent discoveries in K channel inactivation involving dilated selectivity filter structures obtained by Xray and cryo-EM, it does help us understand the KcsA constriction process. With added descriptions and analysis of collective variables, improved reproducibility of results, consistency between string method free energies and unbiased simulations, and improved transition rate calculation, this manuscript will be of interest to the ion channel field.

Reviewed by eLife

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

1. Ahmad Reza Mehdipour
2. Gerhard Hummer

Reviewed by ScreenIT

Structural basis for helicase-polymerase coupling in the SARS-CoV-2 replication-transcription complex

1. James Chen
2. Brandon Malone
3. Eliza Llewellyn
4. Michael Grasso
5. Patrick M. M. Shelton
6. Paul Dominic B. Olinares
7. Kashyap Maruthi
8. Ed Eng
9. Hasan Vatandaslar
10. Brian T. Chait
11. Tarun Kapoor
12. Seth A. Darst
13. Elizabeth A. Campbell

Reviewed by ScreenIT

The global and local distribution of RNA structure throughout the SARS-CoV-2 genome

1. Rafael de Cesaris Araujo Tavares
2. Gandhar Mahadeshwar
3. Anna Marie Pyle

Reviewed by ScreenIT

Map of SARS-CoV-2 spike epitopes not shielded by glycans

1. Mateusz Sikora
2. Sören von Bülow
3. Florian E. C. Blanc
4. Michael Gecht
5. Roberto Covino
6. Gerhard Hummer

Reviewed by ScreenIT

Assessment of proton-coupled conformational dynamics of SARS and MERS coronavirus papain-like proteases: Implication for designing broad-spectrum antiviral inhibitors

1. Jack A. Henderson
2. Neha Verma
3. Robert C. Harris
4. Ruibin Liu
5. Jana Shen

Reviewed by ScreenIT

High-throughput rational design of the remdesivir binding site in the RdRp of SARS-CoV-2: implications for potential resistance

1. Aditya K. Padhi
2. Rohit Shukla
3. Prakash Saudagar
4. Timir Tripathi

Reviewed by ScreenIT

Critical Sequence Hot-spots for Binding of nCOV-2019 to ACE2 as Evaluated by Molecular Simulations

1. Mahdi Ghorbani
2. Bernard R. Brooks
3. Jeffery B. Klauda

Reviewed by ScreenIT

Glycans on the SARS-CoV-2 Spike Control the Receptor Binding Domain Conformation

1. Rory Henderson
2. Robert J Edwards
3. Katayoun Mansouri
4. Katarzyna Janowska
5. Victoria Stalls
6. Megan Kopp
7. Barton F. Haynes
8. Priyamvada Acharya

Reviewed by ScreenIT

Loss of pH switch unique to SARS-CoV2 supports unfamiliar virus pathology

1. Kristina A. Paris
2. Ulises Santiago
3. Carlos J. Camacho

Reviewed by ScreenIT