Lista de obras -

Asp44 stabilizes the Trp41 gate of the M2 proton channel of influenza A virus

artículo científico publicado en 2013

Data-guided Multi-Map variables for ensemble refinement of molecular movies

scientific article published on 01 December 2020

Different bonding type along each crystallographic axis: Computational study of poly(p-phenylene terephthalamide)

artículo científico publicado en 2020

Direct Derivation of Free Energies of Membrane Deformation and Other Solvent Density Variations From Enhanced Sampling Molecular Dynamics

scientific article published on 11 October 2019

Discovery of novel dual inhibitors of the wild-type and the most prevalent drug-resistant mutant, S31N, of the M2 proton channel from influenza A virus

artículo científico publicado en 2013

Exploring Histidine Conformations in the M2 Channel Lumen of the Influenza A Virus at Neutral pH via Molecular Simulations ⬇️

artículo científico publicado el 28 de agosto de 2013

Flipping in the pore: discovery of dual inhibitors that bind in different orientations to the wild-type versus the amantadine-resistant S31N mutant of the influenza A virus M2 proton channel.

artículo científico publicado en 2014

High-resolution structures of the M2 channel from influenza A virus reveal dynamic pathways for proton stabilization and transduction

artículo científico publicado en 2015

Hydrogen-bonded water molecules in the M2 channel of the influenza A virus guide the binding preferences of ammonium-based inhibitors

artículo científico publicado en 2014

Large-scale state-dependent membrane remodeling by a transporter protein

artículo científico publicado en 2019

Mechanically Strong Polymer Sheets from Aligned Ultrahigh-Molecular-Weight Polyethylene Nanocomposites

artículo científico publicado en 2018

Molecular dynamics simulation directed rational design of inhibitors targeting drug-resistant mutants of influenza A virus M2.

artículo científico publicado en 2011

Pore waters regulate ion permeation in a calcium release-activated calcium channel ⬇️

artículo científico publicado el 7 de octubre de 2013

Proton release from the histidine-tetrad in the M2 channel of the influenza A virus

artículo científico publicado en 2014

SPICA Force Field for Proteins and Peptides

artículo científico publicado en 2022

Scalable molecular dynamics on CPU and GPU architectures with NAMD ⬇️

artículo científico publicado en 2020

Structure and inhibition of the drug-resistant S31N mutant of the M2 ion channel of influenza A virus ⬇️

artículo científico publicado el 9 de enero de 2013

Structure and mechanism of proton transport through the transmembrane tetrameric M2 protein bundle of the influenza A virus

artículo científico publicado en 2010

The challenge of stochastic Størmer-Verlet thermostats generating correct statistics

artículo científico publicado en 2020

Transmembrane orientation and possible role of the fusogenic peptide from parainfluenza virus 5 (PIV5) in promoting fusion

artículo científico publicado en 2011

Lista de obras de

Asp44 stabilizes the Trp41 gate of the M2 proton channel of influenza A virus

Data-guided Multi-Map variables for ensemble refinement of molecular movies

Different bonding type along each crystallographic axis: Computational study of poly(p-phenylene terephthalamide)

Direct Derivation of Free Energies of Membrane Deformation and Other Solvent Density Variations From Enhanced Sampling Molecular Dynamics

Discovery of novel dual inhibitors of the wild-type and the most prevalent drug-resistant mutant, S31N, of the M2 proton channel from influenza A virus

Exploring Histidine Conformations in the M2 Channel Lumen of the Influenza A Virus at Neutral pH via Molecular Simulations ⬇️

Flipping in the pore: discovery of dual inhibitors that bind in different orientations to the wild-type versus the amantadine-resistant S31N mutant of the influenza A virus M2 proton channel.

High-resolution structures of the M2 channel from influenza A virus reveal dynamic pathways for proton stabilization and transduction

Hydrogen-bonded water molecules in the M2 channel of the influenza A virus guide the binding preferences of ammonium-based inhibitors

Large-scale state-dependent membrane remodeling by a transporter protein

Mechanically Strong Polymer Sheets from Aligned Ultrahigh-Molecular-Weight Polyethylene Nanocomposites

Molecular dynamics simulation directed rational design of inhibitors targeting drug-resistant mutants of influenza A virus M2.

Pore waters regulate ion permeation in a calcium release-activated calcium channel ⬇️

Proton release from the histidine-tetrad in the M2 channel of the influenza A virus

SPICA Force Field for Proteins and Peptides

Scalable molecular dynamics on CPU and GPU architectures with NAMD ⬇️

Structure and inhibition of the drug-resistant S31N mutant of the M2 ion channel of influenza A virus ⬇️

Structure and mechanism of proton transport through the transmembrane tetrameric M2 protein bundle of the influenza A virus

The challenge of stochastic Størmer-Verlet thermostats generating correct statistics

Transmembrane orientation and possible role of the fusogenic peptide from parainfluenza virus 5 (PIV5) in promoting fusion