Beyond Tripeptides Two-Step Active Machine Learning for Very Large Data sets

por van Teijlingen, Alexander, Tuttle, Tell
Publicado 2021

Predicting the UV–vis spectra of oxazine dyes

por Fleming, Scott, Mills, Andrew, Tuttle, Tell
Publicado 2011

Predicting Lipid Eutectics Using Coarse-Grained Molecular Dynamics

por Cordina, Robert J., Smith, Beccy, Tuttle, Tell
Publicado 2023

Computational Study on the Boundary Between the Concerted and Stepwise Mechanism of Bimolecular S(N)Ar Reactions

por Rohrbach, Simon, Murphy, John A., Tuttle, Tell
Publicado 2020

Rapid Automated Quantification of Triacylglyceride Crystallinity in Molecular Dynamics Simulations

por Cordina, Robert J., Smith, Beccy, Tuttle, Tell
Publicado 2022

COGITO: A Coarse-Grained Force Field for the Simulation of Macroscopic Properties of Triacylglycerides

por Cordina, Robert J., Smith, Beccy, Tuttle, Tell
Publicado 2023

Short Peptide Self-Assembly in the Martini Coarse-Grain Force Field Family

por van Teijlingen, Alexander, Smith, Melissa C., Tuttle, Tell
Publicado 2023

Tungsten(VI) N-Heterocyclic Carbene Complexes: Synthetic, Structural, and Computational Study

por Dodds, Christopher A., Spicer, Mark D., Tuttle, Tell
Publicado 2011

New Insights into the Catalytic Mechanism of Aldose Reductase: A QM/MM Study

por Dréanic, Marie-Pierre, Edge, Colin M., Tuttle, Tell
Publicado 2017

Metal-Free Reductive Cleavage of C–N and S–N Bonds by Photoactivated Electron Transfer from a Neutral Organic Donor**

por O'Sullivan, Steven, Doni, Eswararao, Tuttle, Tell, Murphy, John A
Publicado 2014

Catalyst design in C–H activation: a case study in the use of binding free energies to rationalise intramolecular directing group selectivity in iridium catalysis

por Kerr, William J., Knox, Gary J., Reid, Marc, Tuttle, Tell
Publicado 2021

Radical and Ionic Mechanisms in Rearrangements of o-Tolyl Aryl Ethers and Amines Initiated by the Grubbs–Stoltz Reagent, Et(3)SiH/KO(t)Bu

por Kolodziejczak, Krystian, Stewart, Alexander J., Tuttle, Tell, Murphy, John A.
Publicado 2021

Virtual Screening for Dipeptide Aggregation: Toward Predictive Tools for Peptide Self-Assembly

por Frederix, Pim W. J. M., Ulijn, Rein V., Hunt, Neil T., Tuttle, Tell
Publicado 2011

Overturning Established Chemoselectivities: Selective Reduction of Arenes over Malonates and Cyanoacetates by Photoactivated Organic Electron Donors

por Doni, Eswararao, Mondal, Bhaskar, O’Sullivan, Steven, Tuttle, Tell, Murphy, John A.
Publicado 2013

Artificial Intelligence and Health in Nepal

por van Teijlingen, Alexander, Tuttle, Tell, Bouchachia, Hamid, Sathian, Brijesh, van Teijlingen, Edwin
Publicado 2020

KO(t)Bu as a Single Electron Donor? Revisiting the Halogenation of Alkanes with CBr(4) and CCl(4)

por Emery, Katie J., Young, Allan, Arokianathar, J. Norman, Tuttle, Tell, Murphy, John A.
Publicado 2018

Directed Discovery of Tetrapeptide Emulsifiers

por Scott, Gary G., Börner, Tim, Leser, Martin E., Wooster, Tim J., Tuttle, Tell
Publicado 2022

Constant pH Coarse-Grained Molecular Dynamics with Stochastic Charge Neutralization

por van Teijlingen, Alexander, Swanson, Hamish W. A., Lau, King Hang Aaron, Tuttle, Tell
Publicado 2022

Incorporation of perfluorohexyl-functionalised thiophenes into oligofluorene-truxenes: synthesis and physical properties

por Thomson, Neil, Kanibolotsky, Alexander L, Cameron, Joseph, Tuttle, Tell, Findlay, Neil J, Skabara, Peter J
Publicado 2013

Computationally-Guided Development of a Chelated NHC-P Iridium(I) Complex for the Directed Hydrogen Isotope Exchange of Aryl Sulfones

por Kerr, William J., Knox, Gary J., Reid, Marc, Tuttle, Tell, Bergare, Jonas, Bragg, Ryan A.
Publicado 2020