Effect of natural mutations of SARS-CoV-2 on spike structure, conformation, and antigenicity

SMC Gobeil, K Janowska, S McDowell, K Mansouri… - Science, 2021 - science.org
INTRODUCTION Variants of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-
2) have been circulating worldwide since the beginning of the pandemic. Some are termed …

[HTML][HTML] D614G mutation alters SARS-CoV-2 spike conformation and enhances protease cleavage at the S1/S2 junction

SMC Gobeil, K Janowska, S McDowell, K Mansouri… - Cell reports, 2021 - cell.com
The severe acute respiratory coronavirus 2 (SARS-CoV-2) spike (S) protein is the target of
vaccine design efforts to end the coronavirus disease 2019 (COVID-19) pandemic. Despite …

AlphaFold2 models indicate that protein sequence determines both structure and dynamics

HB Guo, A Perminov, S Bekele, G Kedziora… - Scientific Reports, 2022 - nature.com
Abstract AlphaFold 2 (AF2) has placed Molecular Biology in a new era where we can
visualize, analyze and interpret the structures and functions of all proteins solely from their …

Leveraging base-pair mammalian constraint to understand genetic variation and human disease

PF Sullivan, JRS Meadows, S Gazal, BDN Phan, X Li… - Science, 2023 - science.org
Thousands of genomic regions have been associated with heritable human diseases, but
attempts to elucidate biological mechanisms are impeded by an inability to discern which …

Cryo-EM structures of SARS-CoV-2 Omicron BA. 2 spike

V Stalls, J Lindenberger, SMC Gobeil, R Henderson… - Cell Reports, 2022 - cell.com
The severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) Omicron BA. 2 sub-
lineage has gained in proportion relative to BA. 1. Because spike (S) protein variations may …

Conformations of KRAS4B affected by its partner binding and G12C mutation: insights from GaMD trajectory-image transformation-based deep learning

J Chen, J Wang, W Yang, L Zhao… - Journal of Chemical …, 2024 - ACS Publications
Binding of partners and mutations highly affects the conformational dynamics of KRAS4B,
which is of significance for deeply understanding its function. Gaussian accelerated …

High throughput and quantitative enzymology in the genomic era

DA Mokhtari, MJ Appel, PM Fordyce… - Current opinion in …, 2021 - Elsevier
Accurate predictions from models based on physical principles are the ultimate metric of our
biophysical understanding. Although there has been stunning progress toward structure …

Computational methods for unlocking the secrets of potassium channels: Structure, mechanism, and drug design

L Wang, Q Zhang, HHY Tong, X Yao… - Wiley Interdisciplinary …, 2024 - Wiley Online Library
Potassium (K+) channels play vital roles in various physiological functions, including
regulating K+ flow in cell membranes, impacting nervous system signal transduction …

Carbohydrate-active enzymes from Akkermansia muciniphila break down mucin O-glycans to completion

CR Bakshani, TO Ojuri, B Pilgaard, J Holck… - Nature …, 2025 - nature.com
Akkermansia muciniphila is a human microbial symbiont residing in the mucosal layer of the
large intestine. Its main carbon source is the highly heterogeneous mucin glycoprotein, and …

Investigation of antioxidant and antibacterial effects of citrus fruits peels extracts using different extracting agents: Phytochemical analysis with in silico studies

M Saleem, AI Durani, A Asari, M Ahmed, M Ahmad… - Heliyon, 2023 - cell.com
The peels extracted from various citrus species are major source of phenols, flavonoids and
anti-microbial agents. The purpose of this study was a detailed investigation of the …