Micholas Dean Smith

Oak Ridge National Laboratory — United States

Biochemistry, Genetics and Molecular Biology · Life Sciences

26h-index2.3kcitations92works6.62yr avg
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Research Topics

Protein Structure and Dynamics(29), Computational Drug Discovery Methods(22), Biofuel production and bioconversion(15), Lipid Membrane Structure and Behavior(12), Lignin and Wood Chemistry(12)

Publications92 total

Simulation and generalized Langevin equation study of lipid subdiffusion in biomembrane phases
Biophysical Journal·2025Open Access
Exploring Peptide’s Antifreeze Activity Using a Semi-Automated Molecular Dynamics-Enabled Screening Framework
Journal of Chemical Information and Modeling·2025
Divergent responses of branched and straight-chain lipid membranes to butanol stress revealed by molecular dynamics simulation
Biophysical Journal·2025
Molecular simulation and artificial intelligence for the circular economy of bioenergy and bioproducts
Biophysical Journal·2025· 1 citedOpen Access
Identification of an ice recrystallization inhibiting albumin protein from wheat flour and insights from molecular dynamics simulation
Food Hydrocolloids·2025· 1 cited
LISHURS 2024 Assignments
2025Open Access
LISHURS 2024 Assignments
2025Open Access
Toxic Effects of Butanol in the Plane of the Cell Membrane
Langmuir·2025· 4 citedOpen Access
Glycosylated peptides isolated from cheese whey have antifreezing activity
Food Chemistry·2024· 2 cited
Rotaxanes with a photoresponsive macrocycle modulate the lipid bilayers of large and giant unilamellar vesicles
Communications Chemistry·2024· 7 citedOpen Access
Macroscale properties and atomic-scale mechanisms of ash removal in low-temperature hydrothermal carbonization
Chemical Engineering Journal·2024· 2 citedOpen Access
Molecular-level design of alternative media for energy-saving pilot-scale fibrillation of nanocellulose
Proceedings of the National Academy of Sciences·2024· 9 citedOpen Access
GPRC6A is a Potential Therapeutic Target for Metformin Regulation of Glucose Homeostasis in Mice
2024Open Access
Osteocalcin binds to a <scp>GPRC6A</scp> Venus fly trap allosteric site to positively modulate <scp>GPRC6A</scp> signaling
FASEB BioAdvances·2024· 2 citedOpen Access
Structural bases for Na+-Cl− cotransporter inhibition by thiazide diuretic drugs and activation by kinases
Nature Communications·2024· 11 citedOpen Access
Molecular Shuttles with a Photoresponsive Macrocycle:Investigating Interactions and Operation within Lipid Membranes
2024· 1 citedOpen Access
Amantadine interactions with phase separated lipid membranes
Chemistry and Physics of Lipids·2024· 6 citedOpen Access
High-Throughput Screening and Accurate Prediction of Ionic Liquid Viscosities Using Interpretable Machine Learning
ACS Sustainable Chemistry & Engineering·2024· 29 citedOpen Access
Abstract 4694: In charge: Targeting neddylation of UBE2M for anticancer therapy
Cancer Research·2024
Accurate Machine Learning for Predicting the Viscosities of Deep Eutectic Solvents
Journal of Chemical Theory and Computation·2024· 52 citedOpen Access
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Frequent Co-authors

Jeremy C. Smith(37), Loukas Petridis(17), Xiaolin Cheng(10), Jerry M. Parks(7), Rupesh Agarwal(6), Omar Demerdash(6), Isabella Daidone(6), James C. Gumbart(6), Josh V. Vermaas(6), Laura Zanetti‐Polzi(6), Barmak Mostofian(6), Charles M. Cai(6), Arthur J. Ragauskas(6), Matthew Baker(5), Connor J. Cooper(5), Jens Gläser(5), Shih‐Hsien Liu(5), David Rogers(5), Ada Sedova(5), Luis Cruz(5)