Multiscale modelization in a small virus: Mechanism of proton channeling and its role in triggering capsid disassembly

MD Simulations of Viruslike Particles with Supra CG Solvation Affordable to Desktop Computers

(2017) Matı́as R. Machado et al.   Journal of Chemical Theory and Computation

Virion Structure of Black Queen Cell Virus, a Common Honeybee Pathogen

(2017) Radovan Spurny et al.   JOURNAL OF VIROLOGY

Cryo-electron Microscopy Study of the Genome Release of the Dicistrovirus Israeli Acute Bee Paralysis Virus

(2016) Edukondalu Mullapudi et al.   JOURNAL OF VIROLOGY

Binding and entry of a non-enveloped T =4 insect RNA virus is triggered by alkaline pH

(2016) David L. Penkler et al.   VIROLOGY

Voltage-gated proton (Hv1) channels, a singular voltage sensing domain

(2015) Karen Castillo et al.   FEBS LETTERS

Hydrophobic Gating in Ion Channels

(2015) Prafulla Aryal et al.   JOURNAL OF MOLECULAR BIOLOGY

Triatoma Virus Recombinant VP4 Protein Induces Membrane Permeability through Dynamic Pores

(2015) Rubén Sánchez-Eugenia et al.   JOURNAL OF VIROLOGY

Multiscale simulation reveals a multifaceted mechanism of proton permeation through the influenza A M2 proton channel

(2014) Ruibin Liang et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Capsid Protein VP4 of Human Rhinovirus Induces Membrane Permeability by the Formation of a Size-Selective Multimeric Pore

(2014) Anusha Panjwani et al.   PLoS Pathogens

Structure of theTriatoma viruscapsid

(2013) Gaëlle Squires et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Cryo-electron microscopy reconstructions of triatoma virus particles: a clue to unravel genome delivery and capsid disassembly

(2013) J. Agirre et al.   JOURNAL OF GENERAL VIROLOGY

Transferable Mixing of Atomistic and Coarse-Grained Water Models

(2013) Humberto C. Gonzalez et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Probing the biophysical interplay between a viral genome and its capsid

(2013) J. Snijder et al.   Nature Chemistry

Proton transfer through the water gossamer

(2013) Ali Hassanali et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

The Enterovirus 71 A-particle Forms a Gateway to Allow Genome Release: A CryoEM Study of Picornavirus Uncoating

(2013) Kristin L. Shingler et al.   PLoS Pathogens

Mixing Atomistic and Coarse Grain Solvation Models for MD Simulations: Let WT4 Handle the Bulk

(2012) Leonardo Darré et al.   Journal of Chemical Theory and Computation

A sensor-adaptor mechanism for enterovirus uncoating from structures of EV71

(2012) Xiangxi Wang et al.   NATURE STRUCTURAL & MOLECULAR BIOLOGY

Insights into Minor Group Rhinovirus Uncoating: The X-ray Structure of the HRV2 Empty Capsid

(2012) Damià Garriga et al.   PLoS Pathogens

Chemical Rescue of Enzymes: Proton Transfer in Mutants of Human Carbonic Anhydrase II

(2011) C. Mark Maupin et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Directional Proton Transfer in Membrane Proteins Achieved through Protonated Protein-Bound Water Molecules: A Proton Diode

(2010) Steffen Wolf et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

g_wham—A Free Weighted Histogram Analysis Implementation Including Robust Error and Autocorrelation Estimates

(2010) Jochen S. Hub et al.   Journal of Chemical Theory and Computation

Intricate Role of Water in Proton Transport through CytochromecOxidase

(2010) Hyun Ju Lee et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Catching a Virus in the Act of RNA Release: a Novel Poliovirus Uncoating Intermediate Characterized by Cryo-Electron Microscopy

(2010) H. C. Levy et al.   JOURNAL OF VIROLOGY

Poliovirus RNA Is Released from the Capsid near a Twofold Symmetry Axis

(2010) M. Bostina et al.   JOURNAL OF VIROLOGY

Probing the Dynamics of Solvation and Structure of the OH- Ion in Aqueous Solution from Picosecond Transient Absorption Measurements

(2010) Olivier Poizat et al.   MOLECULES

Capsid protein identification and analysis of mature Triatoma virus (TrV) virions and naturally occurring empty particles

(2010) Jon Agirre et al.   VIROLOGY

Dicistroviruses

(2009) Bryony C. Bonning et al.   Annual Review of Entomology

Water in Nonpolar Confinement: From Nanotubes to Proteins and Beyond

(2007) Jayendran C. Rasaiah et al.   Annual Review of Physical Chemistry