Biophysics

Modeling of ACE2 and antibodies bound to SARS-CoV-2 provides insights into infectivity and immune evasion

1. Joseph H. Lubin
2. Christopher Markosian
3. D. Balamurugan
4. Minh T. Ma
5. Chih-Hsiung Chen
6. Dongfang Liu
7. Renata Pasqualini
8. Wadih Arap
9. Stephen K. Burley
10. Sagar D. Khare

Reviewed by ScreenIT

The Landscape-Based Protein Stability Analysis and Network Modeling of Multiple Conformational States of the SARS-CoV-2 Spike D614 Mutant: Conformational Plasticity and Frustration-Driven Allostery as Energetic Drivers of Highly Transmissible Spike Variant

1. Gennady Verkhivker
2. Steve Agajanian
3. Ryan Kassab
4. Keerthi Krishnan

Reviewed by ScreenIT

Structural Insights of SARS-CoV-2 Spike Protein from Delta and Omicron Variants

1. Ali Sadek
2. David Zaha
3. Mahmoud Salama Ahmed

Reviewed by ScreenIT

Post-Translational Modifications Optimize the Ability of SARS-CoV-2 Spike for Effective Interaction with Host Cell Receptors

1. Karan Kapoor
2. Tianle Chen
3. Emad Tajkhorshid

Reviewed by ScreenIT

Predicting potential SARS-CoV-2 mutations of concern via full quantum mechanical modelling

1. Marco Zaccaria
2. Luigi Genovese
3. Brigitte E. Lawhorn
4. William Dawson
5. Andrew S. Joyal
6. Jingqing Hu
7. Patrick Autissier
8. Takahito Nakajima
9. Welkin E. Johnson
10. Ismael Fofana
11. Michael Farzan
12. Babak Momeni

Reviewed by ScreenIT

Thermal analysis of protein stability and ligand binding in complex media

1. Matthew W. Eskew
2. Albert S. Benight

Reviewed by ScreenIT

SARS-CoV-2 variants impact RBD conformational dynamics and ACE2 accessibility

1. Mariana Valério
2. Luís Borges-Araújo
3. Manuel N. Melo
4. Diana Lousa
5. Cláudio M. Soares

Reviewed by ScreenIT

In silico study on the effects of disulfide bonds in ORF8 of SARS-CoV-2

1. Yadi Cheng
2. Xubiao Peng

Reviewed by ScreenIT

Molecular pathology of the R117H cystic fibrosis mutation is explained by loss of a hydrogen bond

1. Márton A Simon
2. László Csanády

• Curated by eLife

  Evaluation Summary:

  Multiple inherited mutations in the epithelial CFTR anion-permeable channel cause cystic fibrosis through different molecular mechanisms that can be targeted by different types of drugs to treat the disease. Drawing from available structural information and double-mutant cycle analysis of patch-clamp recordings, Simon and Csanády find that one of the most common CFTR disease-causing mutations, R117H, disrupts an interaction between the R117 side-chain and a main-chain carbonyl that selectively stabilizes the open state of the channel. These findings may open new paths of exploration for treating patients carrying this mutation, and provide important mechanistic constraints towards understanding the gating mechanism of CFTR proteins.

  (This preprint has been reviewed by eLife. We include the public reviews from the reviewers here; the authors also receive private feedback with suggested changes to the manuscript. Reviewer #1 and Reviewer #2 agreed to share their names with the authors.)

Reviewed by eLife

Probing the mutational landscape of the SARS-CoV-2 spike protein via quantum mechanical modeling of crystallographic structures

1. Marco Zaccaria
2. Luigi Genovese
3. William Dawson
4. Viviana Cristiglio
5. Takahito Nakajima
6. Welkin Johnson
7. Michael Farzan
8. Babak Momeni

Reviewed by ScreenIT