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Cybershuttle: An End-to-End Cyberinfrastructure Continuum to Accelerate Discovery in Science and Engineering

artículo científico publicado en 2023

Direction Matters: Monovalent Streptavidin/Biotin Complex under Load

artículo científico publicado en 2018

Enhanced sampling techniques in molecular dynamics simulations of biological systems

artículo científico publicado en 2014

Fire forbids fifty-fifty forest

artículo científico publicado en 2018

Generalized correlation-based dynamical network analysis: a new high-performance approach for identifying allosteric communications in molecular dynamics trajectories

artículo científico publicado en 2020

High force catch bond mechanism of bacterial adhesion in the human gut

scientific article published on 28 August 2020

Livestock Herbivory Shapes Fire Regimes and Vegetation Structure Across the Global Tropics

artículo científico publicado en 2019

Mapping Mechanical Force Propagation through Biomolecular Complexes

artículo científico publicado en 2015

Mechanisms of Nanonewton Mechanostability in a Protein Complex Revealed by Molecular Dynamics Simulations and Single-Molecule Force Spectroscopy

scientific article published on 09 September 2019

Molecular dynamics study of enhanced Man5B enzymatic activity

artículo científico publicado en 2014

Molecular mechanism of extreme mechanostability in a pathogen adhesin.

artículo científico publicado en 2018

NAMD goes quantum: an integrative suite for hybrid simulations

scientific article published on 26 March 2018

PyContact: Rapid, Customizable, and Visual Analysis of Noncovalent Interactions in MD Simulations

artículo científico publicado en 2018

QwikMD - Integrative Molecular Dynamics Toolkit for Novices and Experts

artículo científico publicado en 2016

Scalable molecular dynamics on CPU and GPU architectures with NAMD ⬇️

artículo científico publicado en 2020

Streptavidin/biotin: Tethering geometry defines unbinding mechanics

scientific article published on 25 March 2020

Why are forests so scarce in subtropical South America? The shaping roles of climate, fire and livestock

scientific article published in 2016

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