Multifaceted computational modeling in glycoscience

S Perez, O Makshakova - Chemical Reviews, 2022 - ACS Publications
Glycoscience assembles all the scientific disciplines involved in studying various molecules
and macromolecules containing carbohydrates and complex glycans. Such an ensemble …

The CCP4 suite: integrative software for macromolecular crystallography

J Agirre, M Atanasova, H Bagdonas… - Biological …, 2023 - journals.iucr.org
The Collaborative Computational Project No. 4 (CCP4) is a UK-led international collective
with a mission to develop, test, distribute and promote software for macromolecular …

[HTML][HTML] Protein diversification through post-translational modifications, alternative splicing, and gene duplication

Y Goldtzvik, N Sen, SD Lam, C Orengo - Current Opinion in Structural …, 2023 - Elsevier
Proteins provide the basis for cellular function. Having multiple versions of the same protein
within a single organism provides a way of regulating its activity or develo** novel …

Structural basis of SARS-CoV-2 Omicron immune evasion and receptor engagement

M McCallum, N Czudnochowski, LE Rosen, SK Zepeda… - Science, 2022 - science.org
The severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) Omicron variant of
concern evades antibody-mediated immunity that comes from vaccination or infection with …

SARS-CoV-2 immune evasion by the B. 1.427/B. 1.429 variant of concern

M McCallum, J Bassi, A De Marco, A Chen, AC Walls… - Science, 2021 - science.org
A novel variant of concern (VOC) named CAL. 20C (B. 1.427/B. 1.429), which was originally
detected in California, carries spike glycoprotein mutations S13I in the signal peptide …

[HTML][HTML] Map** neutralizing and immunodominant sites on the SARS-CoV-2 spike receptor-binding domain by structure-guided high-resolution serology

L Piccoli, YJ Park, MA Tortorici, N Czudnochowski… - Cell, 2020 - cell.com
Analysis of the specificity and kinetics of neutralizing antibodies (nAbs) elicited by SARS-
CoV-2 infection is crucial for understanding immune protection and identifying targets for …

Molecular basis of immune evasion by the Delta and Kappa SARS-CoV-2 variants

M McCallum, AC Walls, KR Sprouse, JE Bowen… - Science, 2021 - science.org
Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) transmission leads to the
emergence of variants, including the B. 1.617. 2 (Delta) variant of concern that is causing a …

Cross-neutralization of SARS-CoV-2 by a human monoclonal SARS-CoV antibody

D Pinto, YJ Park, M Beltramello, AC Walls, MA Tortorici… - Nature, 2020 - nature.com
Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is a newly emerged
coronavirus that is responsible for the current pandemic of coronavirus disease 2019 …

De novo design of picomolar SARS-CoV-2 miniprotein inhibitors

L Cao, I Goreshnik, B Coventry, JB Case, L Miller… - Science, 2020 - science.org
Targeting the interaction between the severe acute respiratory syndrome coronavirus 2
(SARS-CoV-2) spike protein and the human angiotensin-converting enzyme 2 (ACE2) …

Ultrapotent human antibodies protect against SARS-CoV-2 challenge via multiple mechanisms

MA Tortorici, M Beltramello, FA Lempp, D Pinto… - Science, 2020 - science.org
Efficient therapeutic options are needed to control the spread of severe acute respiratory
syndrome coronavirus 2 (SARS-CoV-2) that has caused more than 922,000 fatalities as of …