NanoVer is a new open-source server-client architecture for multi-user interactive molecular dynamics in extended reality on standalone consumer XR devices.
MDAnalysis: A Python package for the rapid analysis of molecular dynamics simulations
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2026 4verdicts
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Develops and tests algorithms adapting inverse Henderson problem solvers to parameterize multi-component interaction potentials from XL-MS data in homogeneous and three-phase systems.
Ammonia poisons PEM fuel cell cathodes by ammonium ions displacing hydronium at sulfonic acid sites and forming hydronium-absorbing ion clusters via hydrogen bonds, with higher temperatures helping to break up clusters and restore proton transport.
CovAngelo implements a QM/QM/MM embedding model using quantum-information metrics to compute reaction energy profiles and barriers for covalent drug binding at lower cost than conventional methods, demonstrated on zanubrutinib to BTK.
citing papers explorer
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NanoVer: An open-source framework for interactive molecular dynamics in extended reality (iMD-XR) on commodity hardware
NanoVer is a new open-source server-client architecture for multi-user interactive molecular dynamics in extended reality on standalone consumer XR devices.
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Methods for Inferring Interaction Potentials from Cross-Linking Mass Spectrometry Data
Develops and tests algorithms adapting inverse Henderson problem solvers to parameterize multi-component interaction potentials from XL-MS data in homogeneous and three-phase systems.
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Poisoning mechanism of ammonia on proton transport and ionomer structure in cathode catalyst layer of PEM fuel cells
Ammonia poisons PEM fuel cell cathodes by ammonium ions displacing hydronium at sulfonic acid sites and forming hydronium-absorbing ion clusters via hydrogen bonds, with higher temperatures helping to break up clusters and restore proton transport.
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CovAngelo: A hybrid quantum-classical computing platform for accurate and scalable drug discovery
CovAngelo implements a QM/QM/MM embedding model using quantum-information metrics to compute reaction energy profiles and barriers for covalent drug binding at lower cost than conventional methods, demonstrated on zanubrutinib to BTK.