Micholas D Smith Postdoctoral Fellow Contact smithmd@ornl.gov | 865.241.5936 All Publications High-Throughput Screening and Accurate Prediction of Ionic Liquid Viscosities Using Interpretable Machine Learning Accurate Machine Learning for Predicting the Viscosities of Deep Eutectic Solvents 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 Liqu... 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... Role of Capping Agents in the Synthesis of Salicylate-Capped Zinc Oxide Nanoparticles... Solvent-induced membrane stress in biofuel production: molecular insights from small-angle scattering and all-atom molecular dynamics simulations Deconstruction of biomass enabled by local demixing of cosolvents at cellulose and lignin surfaces Deconstruction of biomass enabled by local demixing of cosolvents at cellulose and lignin surfaces... Capturing Deuteration Effects in a Molecular Mechanics Force Field: Deuterated THF and the THF–Water Miscibility Gap... Ligand-Dependent Sodium Ion Dynamics within the A 2A Adenosine Receptor: A Molecular Dynamics Study... A Multifunctional Cosolvent Pair Reveals Molecular Principles of Biomass Deconstruction... Lipid Rafts: Buffers of Cell Membrane Physical Properties Temperature-dependent phase behaviour of tetrahydrofuran–water alters solubilization of xylan to improve co-production of f... Pagination Current page 1 Page 2 Next page ›› Last page Last »
