相关参考文献
注意：仅列出部分参考文献，下载原文获取全部文献信息。SARS-CoV-2 Nsp16 activation mechanism and a cryptic pocket with pan-coronavirus antiviral potential
Neha Vithani et al.
BIOPHYSICAL JOURNAL (2021)
Elucidating molecular mechanisms of functional conformational changes of proteins via Markov state models
Xiaowei Wang et al.
CURRENT OPINION IN STRUCTURAL BIOLOGY (2021)
The SARS-CoV-2 nucleocapsid protein is dynamic, disordered, and phase separates with RNA
Jasmine Cubuk et al.
NATURE COMMUNICATIONS (2021)
Computational epitope map of SARS-CoV-2 spike protein
Mateusz Sikora et al.
PLOS COMPUTATIONAL BIOLOGY (2021)
Engineered trimeric ACE2 binds viral spike protein and locks it in Three-up conformation to potently inhibit SARS-CoV-2 infection
Liang Guo et al.
CELL RESEARCH (2021)
Angiotensin-converting enzyme 2 (ACE2) as a SARS-CoV-2 receptor: molecular mechanisms and potential therapeutic target
Haibo Zhang et al.
INTENSIVE CARE MEDICINE (2020)
The reproductive number of COVID-19 is higher compared to SARS coronavirus
Ying Liu et al.
JOURNAL OF TRAVEL MEDICINE (2020)
A pneumonia outbreak associated with a new coronavirus of probable bat origin
Peng Zhou et al.
NATURE (2020)
Cryo-EM structure of the 2019-nCoV spike in the prefusion conformation
Daniel Wrapp et al.
SCIENCE (2020)
Coronavirus: covid-19 has killed more people than SARS and MERS combined, despite lower case fatality rate
Elisabeth Mahase
BMJ-BRITISH MEDICAL JOURNAL (2020)
The Cap-Snatching SFTSV Endonuclease Domain Is an Antiviral Target
Wenjie Wang et al.
CELL REPORTS (2020)
Structure, Function, and Antigenicity of the SARS-CoV-2 Spike Glycoprotein
Alexandra C. Walls et al.
CELL (2020)
SARS-CoV-2 Cell Entry Depends on ACE2 and TMPRSS2 and Is Blocked by a Clinically Proven Protease Inhibitor
Markus Hoffmann et al.
CELL (2020)
A Community Letter Regarding Sharing Biomolecular Simulation Data for COVID-19
Rommie E. Amaro et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2020)
Cell entry mechanisms of SARS-CoV-2
Jian Shang et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2020)
Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved α-ketoamide inhibitors
Linlin Zhang et al.
SCIENCE (2020)
A highly conserved cryptic epitope in the receptor binding domains of SARS-CoV-2 and SARS-CoV
Meng Yuan et al.
SCIENCE (2020)
Vulnerabilities in coronavirus glycan shields despite extensive glycosylation
Yasunori Watanabe et al.
NATURE COMMUNICATIONS (2020)
Targeting the Dimerization of the Main Protease of Coronaviruses: A Potential Broad-Spectrum Therapeutic Strategy
Bhupesh Goyal et al.
ACS COMBINATORIAL SCIENCE (2020)
Conformational distributions of isolated myosin motor domains encode their mechanochemical properties
Justin R. Porter et al.
ELIFE (2020)
Structural basis of receptor recognition by SARS-CoV-2
Jian Shang et al.
NATURE (2020)
Linear epitopes of SARS-CoV-2 spike protein elicit neutralizing antibodies in COVID-19 patients
Yang Li et al.
CELLULAR & MOLECULAR IMMUNOLOGY (2020)
Crowdsourcing drug discovery for pandemics
John Chodera et al.
NATURE CHEMISTRY (2020)
Studies in humanized mice and convalescent humans yield a SARS-CoV-2 antibody cocktail
Johanna Hansen et al.
SCIENCE (2020)
Distinct conformational states of SARS-CoV-2 spike protein
Yongfei Cai et al.
SCIENCE (2020)
Receptor binding and priming of the spike protein of SARS-CoV-2 for membrane fusion
Donald J. Benton et al.
NATURE (2020)
In situ structural analysis of SARS-CoV-2 spike reveals flexibility mediated by three hinges
Beata Turonova et al.
SCIENCE (2020)
Beyond Shielding: The Roles of Glycans in the SARS-CoV-2 Spike Protein
Lorenzo Casalino et al.
ACS CENTRAL SCIENCE (2020)
Real-Time Conformational Dynamics of SARS-CoV-2 Spikes on Virus Particles
Maolin Lu et al.
CELL HOST & MICROBE (2020)
Structural basis of RNA recognition by the SARS-CoV-2 nucleocapsid phosphoprotein
Dhurvas Chandrasekaran Dinesh et al.
PLOS PATHOGENS (2020)
Structure-Based Vaccine Antigen Design
Barney S. Graham et al.
ANNUAL REVIEW OF MEDICINE, VOL 70 (2019)
Cooperative Changes in Solvent Exposure Identify Cryptic Pockets, Switches, and Allosteric Coupling
Justin R. Porter et al.
BIOPHYSICAL JOURNAL (2019)
Enspara: Modeling molecular ensembles with scalable data structures and parallel computing
J. R. Porter et al.
JOURNAL OF CHEMICAL PHYSICS (2019)
The dynamic conformational landscape of the protein methyltransferase SETD8
Shi Chen et al.
ELIFE (2019)
UniProt: a worldwide hub of protein knowledge
Alex Bateman et al.
NUCLEIC ACIDS RESEARCH (2019)
Advanced Methods for Accessing Protein Shape-Shifting Present New Therapeutic Opportunities
Catherine R. Knoverek et al.
TRENDS IN BIOCHEMICAL SCIENCES (2019)
Electron Cryo-microscopy Structure of Ebola Virus Nucleoprotein Reveals a Mechanism for Nucleocapsid-like Assembly
Zhaoming Su et al.
CELL (2018)
Markov State Models: From an Art to a Science
Brooke E. Husic et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2018)
SWISS-MODEL: homology modelling of protein structures and complexes
Andrew Waterhouse et al.
NUCLEIC ACIDS RESEARCH (2018)
Choice of Adaptive Sampling Strategy Impacts State Discovery, Transition Probabilities, and the Apparent Mechanism of Conformational Changes
Maxwell I. Zimmerman et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2018)
Stabilized coronavirus spikes are resistant to conformational changes induced by receptor recognition or proteolysis
Robert N. Kirchdoerfer et al.
SCIENTIFIC REPORTS (2018)
Simulation of spontaneous G protein activation reveals a new intermediate driving GDP unbinding
Xianqiang Sun et al.
ELIFE (2018)
Cryo-EM structures of MERS-CoV and SARS-CoV spike glycoproteins reveal the dynamic receptor binding domains
Yuan Yuan et al.
NATURE COMMUNICATIONS (2017)
OpenMM 7: Rapid development of high performance algorithms for molecular dynamics
Peter Eastman et al.
PLOS COMPUTATIONAL BIOLOGY (2017)
Prediction of New Stabilizing Mutations Based on Mechanistic Insights from Markov State Models
Maxwell I. Zimmerman et al.
ACS CENTRAL SCIENCE (2017)
Designing small molecules to target cryptic pockets yields both positive and negative allosteric modulators
Kathryn M. Hart et al.
PLOS ONE (2017)
CHARMM-GUI Input Generator for NAMD, GROMACS, AMBER, OpenMM, and CHARMM/OpenMM Simulations Using the CHARMM36 Additive Force Field
Jumin Lee et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2016)
Accurately Modeling Nanosecond Protein Dynamics Requires at least Microseconds of Simulation
Gregory R. Bowman
JOURNAL OF COMPUTATIONAL CHEMISTRY (2016)
Modelling proteins' hidden conformations to predict antibiotic resistance
Kathryn M. Hart et al.
NATURE COMMUNICATIONS (2016)
MDTraj: A Modern Open Library for the Analysis of Molecular Dynamics Trajectories
Robert T. McGibbon et al.
BIOPHYSICAL JOURNAL (2015)
FAST Conformational Searches by Balancing Exploration/Exploitation Trade-Offs
Maxwell I. Zimmerman et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2015)
Molecular Docking and Structure-Based Drug Design Strategies
Leonardo G. Ferreira et al.
MOLECULES (2015)
Cloud-based simulations on Google Exacycle reveal ligand modulation of GPCR activation pathways
Kai J. Kohlhoff et al.
NATURE CHEMISTRY (2014)
The Coronavirus Nucleocapsid Is a Multifunctional Protein
Ruth McBride et al.
VIRUSES-BASEL (2014)
Activation pathway of Src kinase reveals intermediate states as targets for drug design
Diwakar Shukla et al.
NATURE COMMUNICATIONS (2014)
CHARMM36 all-atom additive protein force field: Validation based on comparison to NMR data
Jing Huang et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2013)
How Fast-Folding Proteins Fold
Kresten Lindorff-Larsen et al.
SCIENCE (2011)
Molecular Simulation of ab Initio Protein Folding for a Millisecond Folder NTL9(1-39)
Vincent A. Voelz et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2010)
Everything you wanted to know about Markov State Models but were afraid to ask
Vijay S. Pande et al.
METHODS (2010)
Crystal structure of NL63 respiratory coronavirus receptor-binding domain complexed with its human receptor
Kailang Wu et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2009)
P-LINCS: A parallel linear constraint solver for molecular simulation
Berk Hess
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2008)
Software news and updates - CHARNIM-GUI: A web-based grraphical user interface for CHARMM
Sunhwan Jo et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2008)
Canonical sampling through velocity rescaling
Giovanni Bussi et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
SARS CoV main proteinase: The monomer-dimer equilibrium dissociation constant
Vito Graziano et al.
BIOCHEMISTRY (2006)
Identification of a new human coronavirus
L van der Hoek et al.
NATURE MEDICINE (2004)
MUSCLE: multiple sequence alignment with high accuracy and high throughput
RC Edgar
NUCLEIC ACIDS RESEARCH (2004)
A point-charge force field for molecular mechanics simulations of proteins based on condensed-phase quantum mechanical calculations
Y Duan et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2003)
Epidemiology and cause of severe acute respiratory syndrome (SARS) in Guangdong, People's Republic of China, in February, 2003
NS Zhong et al.
LANCET (2003)
分享论文
