Author: Daniel M Zuckerman

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Preprints

#COVIDisAirborne: AI-Enabled Multiscale Computational Microscopy of Delta SARS-CoV-2 in a Respiratory Aerosol

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Connexin-46/50 in a dynamic lipid environment resolved by CryoEM at 1.9 Å

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Continuum dynamics and statistical correction of compositional heterogeneity in multivalent IDP oligomers resolved by single-particle EM

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What Markov state models can and cannot do: Correlation versus path-based observables in protein folding models

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High-throughput single-particle tracking reveals nested membrane nanodomain organization that dictates Ras diffusion and trafficking

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Should virus capsids assemble perfectly? Theory and observation of defects

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A systems-biology approach to molecular machines: Exploration of alternative transporter mechanisms

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HER2 Cancer Protrusion Growth Signaling Regulated by Unhindered, Localized Filopodial Dynamics

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Middle-way flexible docking: Pose prediction using mixed-resolution Monte Carlo in estrogen receptor α

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Computational estimation of ms-sec atomistic folding times

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Morphodynamical cell-state description via live-cell imaging trajectory embedding

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Vascular KATP channel structural dynamics reveal regulatory mechanism by Mg-nucleotides

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WESTPA 2.0: High-performance upgrades for weighted ensemble simulations and analysis of longer-timescale applications

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Extensive Evaluation of Weighted Ensemble Strategies for Calculating Rate Constants and Binding Affinities of Molecular Association/Dissociation Processes

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Stochastic Simulation to Visualize Gene Expression and Error Correction in Living Cells

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Connexin 46 and connexin 50 gap junction channel open stability and unitary conductance are shaped by structural and dynamic features of their N-terminal domains

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Ligand-mediated structural dynamics of a mammalian pancreatic KATP channel

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Quantifying cooperative multisite binding in the hub protein LC8 through Bayesian inference

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A Suite of Advanced Tutorials for the WESTPA 2.0 Rare-Events Sampling Software

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