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 …

Interaction of SARS-CoV-2 with host cells and antibodies: experiment and simulation

H Nguyen, HL Nguyen, PD Lan, NQ Thai… - Chemical Society …, 2023 - pubs.rsc.org
Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is the causative agent of
the devastating global COVID-19 pandemic announced by WHO in March 2020. Through …

N501Y mutation of spike protein in SARS-CoV-2 strengthens its binding to receptor ACE2

F Tian, B Tong, L Sun, S Shi, B Zheng, Z Wang, X Dong… - elife, 2021 - elifesciences.org
SARS-CoV-2 has been spreading around the world for the past year. Recently, several
variants such as B. 1.1. 7 (alpha), B. 1.351 (beta), and P. 1 (gamma), which share a key …

A new SARS-CoV-2 dual-purpose serology test: highly accurate infection tracing and neutralizing antibody response detection

SC Taylor, B Hurst, CL Charlton, A Bailey… - Journal of clinical …, 2021 - Am Soc Microbiol
Many severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) serology tests have
proven to be less accurate than expected and do not assess antibody function as …

Differential interactions between human ACE2 and spike RBD of SARS-CoV-2 variants of concern

S Kim, Y Liu, Z Lei, J Dicker, Y Cao… - Journal of chemical …, 2021 - ACS Publications
Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is the causative agent of
the current coronavirus disease 2019 (COVID-19) pandemic. It is known that the receptor …

Comprehensive characterization of N-and O-glycosylation of SARS-CoV-2 human receptor angiotensin converting enzyme 2

A Shajahan, S Archer-Hartmann, NT Supekar… - …, 2021 - academic.oup.com
The emergence of the coronavirus disease 2019 (COVID-19) pandemic caused by severe
acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has created the need for …

Force-tuned avidity of spike variant-ACE2 interactions viewed on the single-molecule level

R Zhu, D Canena, M Sikora, M Klausberger… - nature …, 2022 - nature.com
Recent waves of COVID-19 correlate with the emergence of the Delta and the Omicron
variant. We report that the Spike trimer acts as a highly dynamic molecular caliper, thereby …

Binding of human ACE2 and RBD of omicron enhanced by unique interaction patterns among SARS‐CoV‐2 variants of concern

S Kim, Y Liu, M Ziarnik, S Seo, Y Cao… - Journal of …, 2023 - Wiley Online Library
Severe acute respiratory syndrome coronavirus 2 (SARS‐CoV‐2), the virus causing COVID‐
19, has continued to mutate and spread worldwide despite global vaccination efforts. In …

Single-molecule force stability of the SARS-CoV-2–ACE2 interface in variants-of-concern

MS Bauer, S Gruber, A Hausch, MCR Melo… - Nature …, 2024 - nature.com
Mutations in SARS-CoV-2 have shown effective evasion of population immunity and
increased affinity to the cellular receptor angiotensin-converting enzyme 2 (ACE2) …

Mutation N501Y in RBD of Spike Protein Strengthens the Interaction between COVID-19 and its Receptor ACE2

F Tian, B Tong, L Sun, S Shi, B Zheng, Z Wang, X Dong… - BioRxiv, 2021 - biorxiv.org
ABSTRACT SARS-CoV-2 is spreading around the world for the past year. Enormous efforts
have been taken to understand its mechanism of transmission. It is well established now that …