Elucidating Interactions Between SARS-CoV-2 Trimeric Spike Protein and ACE2 Using Homology Modeling and Molecular Dynamics Simulations

Potential interventions for novel coronavirus in China: A systematic review

(2020) Lei Zhang et al.   JOURNAL OF MEDICAL VIROLOGY

Clinical features of patients infected with 2019 novel coronavirus in Wuhan, China

(2020) Chaolin Huang et al.   LANCET

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

(2020) Daniel Wrapp et al.   SCIENCE

On the origin and continuing evolution of SARS-CoV-2

(2020) Xiaolu Tang et al.   National Science Review

Analysis of therapeutic targets for SARS-CoV-2 and discovery of potential drugs by computational methods

(2020) Canrong Wu et al.   Acta Pharmaceutica Sinica B

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

(2020) Alexandra C. Walls et al.   CELL

Inhibition of SARS-CoV-2 (previously 2019-nCoV) infection by a highly potent pan-coronavirus fusion inhibitor targeting its spike protein that harbors a high capacity to mediate membrane fusion

(2020) Shuai Xia et al.   CELL RESEARCH

Phylogenetic Analysis and Structural Modeling of SARS-CoV-2 Spike Protein Reveals an Evolutionary Distinct and Proteolytically Sensitive Activation Loop

(2020) Javier A. Jaimes et al.   JOURNAL OF MOLECULAR BIOLOGY

Structure of the SARS-CoV-2 spike receptor-binding domain bound to the ACE2 receptor

(2020) Jun Lan et al.   NATURE

Cell entry mechanisms of SARS-CoV-2

(2020) Jian Shang et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Crystal structure of SARS-CoV-2 nucleocapsid protein RNA binding domain reveals potential unique drug targeting sites

(2020) Sisi Kang et al.   Acta Pharmaceutica Sinica B

A Structural View of SARS-CoV-2 RNA Replication Machinery: RNA Synthesis, Proofreading and Final Capping

(2020) Maria Romano et al.   Cells

Coronavirus membrane fusion mechanism offers a potential target for antiviral development

(2020) Tiffany Tang et al.   ANTIVIRAL RESEARCH

Biochemical characterization of SARS-CoV-2 nucleocapsid protein

(2020) Weihong Zeng et al.   BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS

COVID-19, SARS and MERS: are they closely related?

(2020) N. Petrosillo et al.   CLINICAL MICROBIOLOGY AND INFECTION

Controlling the SARS-CoV-2 spike glycoprotein conformation

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

Temperature significantly changes COVID-19 transmission in (sub)tropical cities of Brazil

(2020) David N. Prata et al.   SCIENCE OF THE TOTAL ENVIRONMENT

Predicted Hotspot Residues Involved in Allosteric Signal Transmission in Pro-Apoptotic Peptide—Mcl1 Complexes

(2020) Parthiban Marimuthu et al.   Biomolecules

The EMBL-EBI search and sequence analysis tools APIs in 2019

(2019) Fábio Madeira et al.   NUCLEIC ACIDS RESEARCH

An Improved Free Energy Perturbation FEP+ Sampling Protocol for Flexible Ligand-Binding Domains

(2019) Filip Fratev et al.   Scientific Reports

Cryo-EM structure of the SARS coronavirus spike glycoprotein in complex with its host cell receptor ACE2

(2018) Wenfei Song et al.   PLoS Pathogens

ff14SB: Improving the Accuracy of Protein Side Chain and Backbone Parameters from ff99SB

(2015) James A. Maier et al.   Journal of Chemical Theory and Computation

PTRAJ and CPPTRAJ: Software for Processing and Analysis of Molecular Dynamics Trajectory Data

(2013) Daniel R. Roe et al.   Journal of Chemical Theory and Computation

MMPBSA.py: An Efficient Program for End-State Free Energy Calculations

(2012) Bill R. Miller et al.   Journal of Chemical Theory and Computation