Micholas Smith Postdoctoral Fellow Contact SMITHMD@ORNL.GOV All Publications Molecular insights into the in situ early-stage assembly of metal–organic frameworks on cellulose nanofibrils Osteocalcin binds to a GPRC6A Venus fly trap allosteric site to positively modulate GPRC6A signaling Molecular-level design of alternative media for energy-saving pilot-scale fibrillation of nanocellulose Amantadine interactions with phase separated lipid membranes... High-Throughput Screening and Accurate Prediction of Ionic Liquid Viscosities Using Interpretable Machine Learning... Characterization and molecular simulation of lignin in Cyrene pretreatment of switchgrass... Accurate Machine Learning for Predicting the Viscosities of Deep Eutectic Solvents 3D printed lignin/polymer composite with enhanced mechanical and anti-thermal-aging performance Drugging the entire human proteome: Are we there yet? Characterization and molecular simulation of lignin in Cyrene pretreatment of switchgrass Predictive understanding of the surface tension and velocity of sound in ionic liquids using machine learning Quantum Chemistry-Driven Machine Learning Approach for the Prediction of the Surface Tension and Speed of Sound in Ionic Liquids SARS-CoV2 Billion-Compound Docking Amphiphilic Co-Solvents Modulate the Structure of Membrane Domains Modeling the partitioning of amphiphilic molecules and co-solvents in biomembranes Microbial Membranes: A Challenge for Bioenergy Reply To: Insufficient evidence for ageing in protein dynamics Tuning Proton Transfer Thermodynamics in SARS-CoV-2 Main Protease: Implications for Catalysis and Inhibitor Design Inhibitor binding influences the protonation states of histidines in SARS-CoV-2 main protease Supercomputer-Based Ensemble Docking Drug Discovery Pipeline with Application to Covid-19 Supercomputing Pipelines Search for Therapeutics Against COVID-19 Effects of sodium and calcium chloride ionic stresses on model yeast membranes revealed by molecular dynamics simulation Solvent-induced membrane stress in biofuel production: molecular insights from small-angle scattering and all-atom molecular dynamics simulations Role of Capping Agents in the Synthesis of Salicylate-Capped Zinc Oxide Nanoparticles Deconstruction of biomass enabled by local demixing of cosolvents at cellulose and lignin surfaces... Pagination Current page 1 Page 2 Next page ›› Last page Last »
