Interaction with the Surrounding Water Plays a Key Role in Determining the Aggregation Propensity of Proteins
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February 2014 |
Single-chain heteropolymers transport protons selectively and rapidly
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January 2020 |
How Hydrogen Bonds Affect the Growth of Reverse Micelles around Coordinating Metal Ions
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March 2014 |
Review of Current Strategies for Delivering Alzheimer’s Disease Drugs across the Blood-Brain Barrier
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January 2019 |
Computational Design of ACE2-Based Peptide Inhibitors of SARS-CoV-2
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April 2020 |
Structural basis of receptor recognition by SARS-CoV-2
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March 2020 |
Effect of pegylation on pharmaceuticals
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March 2003 |
GROMACS 4: Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation
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February 2008 |
Deep‐learning contact‐map guided protein structure prediction in CASP13
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August 2019 |
A Multibasic Cleavage Site in the Spike Protein of SARS-CoV-2 Is Essential for Infection of Human Lung Cells
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May 2020 |
Toward a Molecular Understanding of Protein Solubility: Increased Negative Surface Charge Correlates with Increased Solubility
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April 2012 |
A highly conserved cryptic epitope in the receptor binding domains of SARS-CoV-2 and SARS-CoV
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April 2020 |
Anomalously low dielectric constant of confined water
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June 2018 |
A Unique Protease Cleavage Site Predicted in the Spike Protein of the Novel Pneumonia Coronavirus (2019-nCoV) Potentially Related to Viral Transmissibility
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March 2020 |
High aspect ratio nanotubes assembled from macrocyclic iminium salts
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August 2018 |
P-LINCS: A Parallel Linear Constraint Solver for Molecular Simulation
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December 2007 |
The proximal origin of SARS-CoV-2
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March 2020 |
A new coronavirus associated with human respiratory disease in China
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February 2020 |
Cryo-EM structure of the 2019-nCoV spike in the prefusion conformation
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February 2020 |
All-Atom Empirical Potential for Molecular Modeling and Dynamics Studies of Proteins †
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April 1998 |
A human monoclonal antibody blocking SARS-CoV-2 infection
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May 2020 |
Water follows polar and nonpolar protein surface domains
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September 2019 |
CHARMM36m: an improved force field for folded and intrinsically disordered proteins
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November 2016 |
Improved Parameters for the Martini Coarse-Grained Protein Force Field
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November 2012 |
LINCS: A linear constraint solver for molecular simulations
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September 1997 |
Particle mesh Ewald: An N ⋅log( N ) method for Ewald sums in large systems
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June 1993 |
Peptide therapeutics: current status and future directions
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January 2015 |
Protein Structure and Sequence Reanalysis of 2019-nCoV Genome Refutes Snakes as Its Intermediate Host and the Unique Similarity between Its Spike Protein Insertions and HIV-1
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March 2020 |
Activating peptides for cellular uptake via polymerization into high density brushes
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January 2016 |
Structure of the SARS-CoV-2 spike receptor-binding domain bound to the ACE2 receptor
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March 2020 |
CHARMM-GUI Input Generator for NAMD, GROMACS, AMBER, OpenMM, and CHARMM/OpenMM Simulations Using the CHARMM36 Additive Force Field
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December 2015 |
Combining an Elastic Network With a Coarse-Grained Molecular Force Field: Structure, Dynamics, and Intermolecular Recognition
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August 2009 |
Peptides Displayed as High Density Brush Polymers Resist Proteolysis and Retain Bioactivity
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October 2014 |
Random heteropolymers preserve protein function in foreign environments
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March 2018 |
Structure, Function, and Antigenicity of the SARS-CoV-2 Spike Glycoprotein
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April 2020 |
Polymorphic transitions in single crystals: A new molecular dynamics method
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December 1981 |
Self-Assembly of Charge-Containing Copolymers at the Liquid–Liquid Interface
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March 2019 |
A neutralizing human antibody binds to the N-terminal domain of the Spike protein of SARS-CoV-2
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June 2020 |
The spike glycoprotein of the new coronavirus 2019-nCoV contains a furin-like cleavage site absent in CoV of the same clade
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April 2020 |
Settle: An analytical version of the SHAKE and RATTLE algorithm for rigid water models
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October 1992 |
Structure and hydrogen bond dynamics of water–dimethyl sulfoxide mixtures by computer simulations
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May 1993 |
Cross-neutralization of SARS-CoV-2 by a human monoclonal SARS-CoV antibody
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May 2020 |
A Simple Method for Improving Protein Solubility and Long-Term Stability
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July 2004 |
Receptor Recognition by the Novel Coronavirus from Wuhan: an Analysis Based on Decade-Long Structural Studies of SARS Coronavirus
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January 2020 |
A smooth particle mesh Ewald method
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November 1995 |
Structural basis for the recognition of SARS-CoV-2 by full-length human ACE2
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March 2020 |
Tracking Changes in SARS-CoV-2 Spike: Evidence that D614G Increases Infectivity of the COVID-19 Virus
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August 2020 |
Therapeutic peptides: Historical perspectives, current development trends, and future directions
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June 2018 |
Frontiers in free-energy calculations of biological systems: WIREs Computational Molecular Science: frontiers in free-energy calculations
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June 2013 |
“Mirror”-like Protein Dimers Stabilized by Local Heterogeneity at Protein Surfaces
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April 2019 |
Water Dielectric Effects in Planar Confinement
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July 2016 |
Anomalously low dielectric constant of confined water
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