A glycan gate controls opening of the SARS-CoV-2 spike protein

SARS-CoV-2 simulations go exascale to predict dramatic spike opening and cryptic pockets across the proteome

(2021) Maxwell I. Zimmerman et al.   Nature Chemistry

Genomic characterisation and epidemiology of 2019 novel coronavirus: implications for virus origins and receptor binding

(2020) Roujian Lu et al.   LANCET

A familial cluster of pneumonia associated with the 2019 novel coronavirus indicating person-to-person transmission: a study of a family cluster

(2020) Jasper Fuk-Woo Chan et al.   LANCET

Cryo-EM structure of the 2019-nCoV spike in the prefusion conformation

(2020) Daniel Wrapp et al.   SCIENCE

Structure, Function, and Antigenicity of the SARS-CoV-2 Spike Glycoprotein

(2020) Alexandra C. Walls et al.   CELL

A Community Letter Regarding Sharing Biomolecular Simulation Data for COVID-19

(2020) Rommie E. Amaro et al.   Journal of Chemical Information and Modeling

Site-specific glycan analysis of the SARS-CoV-2 spike

(2020) Yasunori Watanabe et al.   SCIENCE

Controlling the SARS-CoV-2 spike glycoprotein conformation

(2020) Rory Henderson et al.   NATURE STRUCTURAL & MOLECULAR BIOLOGY

Structure-based design of prefusion-stabilized SARS-CoV-2 spikes

(2020) Ching-Lin Hsieh et al.   SCIENCE

Conformational transition of SARS-CoV-2 spike glycoprotein between its closed and open states

(2020) Mert Gur et al.   JOURNAL OF CHEMICAL PHYSICS

Receptor binding and priming of the spike protein of SARS-CoV-2 for membrane fusion

(2020) Donald J. Benton et al.   NATURE

Beyond Shielding: The Roles of Glycans in the SARS-CoV-2 Spike Protein

(2020) Lorenzo Casalino et al.   ACS Central Science

Real-Time Conformational Dynamics of SARS-CoV-2 Spikes on Virus Particles

(2020) Maolin Lu et al.   Cell Host & Microbe

Computational estimation of ms-sec atomistic folding times

(2019) Upendra Adhikari et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Large enhancement of response times of a protein conformational switch by computational design

(2018) Alex J. DeGrave et al.   Nature Communications

Immunogenicity and structures of a rationally designed prefusion MERS-CoV spike antigen

(2017) Jesper Pallesen et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Structure, Function, and Evolution of Coronavirus Spike Proteins

(2016) Fang Li   Annual Review of Virology

Simultaneous Computation of Dynamical and Equilibrium Information Using a Weighted Ensemble of Trajectories

(2014) Ernesto Suárez et al.   Journal of Chemical Theory and Computation

Trajectories of the ribosome as a Brownian nanomachine

(2014) Ali Dashti et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

The “weighted ensemble” path sampling method is statistically exact for a broad class of stochastic processes and binning procedures

(2010) Bin W. Zhang et al.   JOURNAL OF CHEMICAL PHYSICS