Tell Tuttle

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 39

Top Topics

Molecular Dynamics

Electron Transfer

Machine Learning

Top Venues

Physical chemistry chemical physics : PCCP

Accounts of chemical research

Journal of chemical theory and computation

Angewandte Chemie (International ed. in English)

This page only lists publications with an associated author ORCID identifier.

Publications

Alexander van Teijlingen, Daniel C Edwards, Liao Hu, Annamaria Lilienkampf, Scott L Cockroft, Tell Tuttle
An active machine learning discovery platform for membrane-disrupting and pore-forming peptides. Physical chemistry chemical physics : PCCP 26 (25) (2024)
Hamish W A Swanson, Alexander van Teijlingen, King Hang Aaron Lau, Tell Tuttle
Martinoid: the peptoid martini force field. Physical chemistry chemical physics : PCCP 26 (6) (2024)
Ross James Urquhart, Alexander van Teijlingen, Tell Tuttle
ANI neural network potentials for small molecule p K a prediction. Physical chemistry chemical physics : PCCP (2024)
Alexander van Teijlingen, Daniel C Edwards, Liao Hu, Annamaria Lilienkampf, Scott L Cockroft, Tell Tuttle
An active machine learning discovery platform for membrane-disrupting and pore-forming peptides. Physical chemistry chemical physics : PCCP 26 (25) (2024)
Hamish W A Swanson, Alexander van Teijlingen, King Hang Aaron Lau, Tell Tuttle
Martinoid: the peptoid martini force field. Physical chemistry chemical physics : PCCP (2024)
Alexander van Teijlingen, Daniel C Edwards, Liao Hu, Annamaria Lilienkampf, Scott L Cockroft, Tell Tuttle
An active machine learning discovery platform for membrane-disrupting and pore-forming peptides. Physical chemistry chemical physics : PCCP (2024)
Alexander van Teijlingen, Daniel C Edwards, Liao Hu, Annamaria Lilienkampf, Scott L Cockroft, Tell Tuttle
An active machine learning discovery platform for membrane-disrupting and pore-forming peptides. Physical chemistry chemical physics : PCCP 26 (25) (2024)
Alexander van Teijlingen, Melissa C Smith, Tell Tuttle
Short Peptide Self-Assembly in the Martini Coarse-Grain Force Field Family. Accounts of chemical research 56 (6) (2023)
Hamish W A Swanson, King Hang Aaron Lau, Tell Tuttle
Minimal Peptoid Dynamics Inform Self-Assembly Propensity. The journal of physical chemistry. B (2023)
Maithreyi Ramakrishnan, Alexander van Teijlingen, Tell Tuttle, Rein V Ulijn
Integrating Computation, Experiment, and Machine Learning in the Design of Peptide-Based Supramolecular Materials and Systems. Angewandte Chemie (International ed. in English) (2023)
Robert J Cordina, Beccy Smith, Tell Tuttle
COGITO: A Coarse-Grained Force Field for the Simulation of Macroscopic Properties of Triacylglycerides. Journal of chemical theory and computation 19 (4) (2023)
Alexander van Teijlingen, Melissa C Smith, Tell Tuttle
Short Peptide Self-Assembly in the Martini Coarse-Grain Force Field Family. Accounts of chemical research 56 (6) (2023)
Robert J Cordina, Beccy Smith, Tell Tuttle
COGITO: A Coarse-Grained Force Field for the Simulation of Macroscopic Properties of Triacylglycerides. Journal of chemical theory and computation (2023)
Robert J Cordina, Beccy Smith, Tell Tuttle
Predicting Lipid Eutectics Using Coarse-Grained Molecular Dynamics. The journal of physical chemistry. B (2023)
Robert J Cordina, Beccy Smith, Tell Tuttle
Triacylglyceride melting point determination using coarse-grained molecular dynamics. Journal of computational chemistry (2023)
Alexander van Teijlingen, Melissa C Smith, Tell Tuttle
Short Peptide Self-Assembly in the Martini Coarse-Grain Force Field Family. Accounts of chemical research (2023)
Bharti Koshti, Hamish W A Swanson, Basil Wilson, Vivekshinh Kshtriya, Soumick Naskar, Hanuman Narode, King Hang Aaron Lau, Tell Tuttle, Nidhi Gour
Solvent-controlled self-assembly of Fmoc protected aliphatic amino acids. Physical chemistry chemical physics : PCCP (2023)
Alexander van Teijlingen, Melissa C Smith, Tell Tuttle
Short Peptide Self-Assembly in the Martini Coarse-Grain Force Field Family. Accounts of chemical research 56 (6) (2023)
Robert J Cordina, Beccy Smith, Tell Tuttle
COGITO: A Coarse-Grained Force Field for the Simulation of Macroscopic Properties of Triacylglycerides. Journal of chemical theory and computation 19 (4) (2023)
Alexander van Teijlingen, Melissa C Smith, Tell Tuttle
Short Peptide Self-Assembly in the Martini Coarse-Grain Force Field Family. Accounts of chemical research 56 (6) (2023)
Peter A Macdonald, Sumanta Banerjee, Alan R Kennedy, Alexander van Teijlingen, Stuart D Robertson, Tell Tuttle, Robert E Mulvey
Alkali Metal Dihydropyridines in Transfer Hydrogenation Catalysis of Imines: Amide Basicity versus Hydride Surrogacy. Angewandte Chemie (International ed. in English) (2023)
Robert J Cordina, Beccy Smith, Tell Tuttle
COGITO: A Coarse-Grained Force Field for the Simulation of Macroscopic Properties of Triacylglycerides. Journal of chemical theory and computation 19 (4) (2023)
Sumanta Banerjee, Peter A Macdonald, Samantha A Orr, Alan R Kennedy, Alexander van Teijlingen, Stuart D Robertson, Tell Tuttle, Robert E Mulvey
Hydrocarbon Soluble Alkali-Metal-Aluminium Hydride Surrog[ATES]. Chemistry (Weinheim an der Bergstrasse, Germany) 28 (55) (2022)
Alexander van Teijlingen, Hamish W A Swanson, King Hang Aaron Lau, Tell Tuttle
Constant pH Coarse-Grained Molecular Dynamics with Stochastic Charge Neutralization. The journal of physical chemistry letters 13 (18) (2022)
Robert J Cordina, Beccy Smith, Tell Tuttle
Rapid Automated Quantification of Triacylglyceride Crystallinity in Molecular Dynamics Simulations. Journal of chemical information and modeling 62 (22) (2022)
Alexander van Teijlingen, Tell Tuttle
Beyond Tripeptides Two-Step Active Machine Learning for Very Large Data sets. Journal of chemical theory and computation 17 (5) (2021)
Alexandra Brito, Dhwanit Dave, Ayala Lampel, Vânia I B Castro, Daniela Kroiss, Rui L Reis, Tell Tuttle, Rein V Ulijn, Ricardo A Pires, Iva Pashkuleva
Expanding the Conformational Landscape of Minimalistic Tripeptides by Their O-Glycosylation. Journal of the American Chemical Society 143 (47) (2021)
Krystian Kolodziejczak, Alexander J Stewart, Tell Tuttle, John A Murphy
Radical and Ionic Mechanisms in Rearrangements of o-Tolyl Aryl Ethers and Amines Initiated by the Grubbs-Stoltz Reagent, Et3SiH/KOtBu. Molecules (Basel, Switzerland) 26 (22) (2021)
William J Kerr, Gary J Knox, Marc Reid, Tell Tuttle
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. Chemical science 12 (19) (2021)
Roxana Piotrowska, Travis Hesketh, Haozhen Wang, Alan R G Martin, Deborah Bowering, Chunqiu Zhang, Chunhua Tony Hu, Scott A McPhee, Tong Wang, Yaewon Park, Pulkit Singla, Thomas McGlone, Alastair J Florence, Tell Tuttle, Rein V Ulijn, Xi Chen
Mechanistic insights of evaporation-induced actuation in supramolecular crystals. Nature materials 20 (3) (2020)
Simon Rohrbach, John A Murphy, Tell Tuttle
Computational Study on the Boundary Between the Concerted and Stepwise Mechanism of Bimolecular SNAr Reactions. Journal of the American Chemical Society 142 (35) (2020)
Andrew J Smith, Daniela Dimitrova, Jude N Arokianathar, Krystian Kolodziejczak, Allan Young, Mark Allison, Darren L Poole, Stuart G Leach, John A Parkinson, Tell Tuttle, John A Murphy
New reductive rearrangement of N-arylindoles triggered by the Grubbs-Stoltz reagent Et3SiH/KO t Bu. Chemical science 11 (14) (2020)
Simon Rohrbach, Andrew J Smith, Jia Hao Pang, Darren L Poole, Tell Tuttle, Shunsuke Chiba, John A Murphy
Concerted Nucleophilic Aromatic Substitution Reactions. Angewandte Chemie (International ed. in English) 58 (46) (2019)
Victoria A Pollard, Allan Young, Ross McLellan, Alan R Kennedy, Tell Tuttle, Robert E Mulvey
Lithium-Aluminate-Catalyzed Hydrophosphination Applications. Angewandte Chemie (International ed. in English) 58 (35) (2019)
Giuseppe Nocera, Allan Young, Fabrizio Palumbo, Katie J Emery, Graeme Coulthard, Thomas McGuire, Tell Tuttle, John A Murphy
Electron Transfer Reactions: KO tBu (but not NaO tBu) Photoreduces Benzophenone under Activation by Visible Light. Journal of the American Chemical Society 140 (30) (2018)
Katie J Emery, Allan Young, J Norman Arokianathar, Tell Tuttle, John A Murphy
KOtBu as a Single Electron Donor? Revisiting the Halogenation of Alkanes with CBr₄ and CCl₄. Molecules (Basel, Switzerland) 23 (5) (2018)
Ayala Lampel, Scott A McPhee, Hang-Ah Park, Gary G Scott, Sunita Humagain, Doeke R Hekstra, Barney Yoo, Pim Wilhelmus Johannes Maria Frederix, Tai-De Li, Rinat R Abzalimov, Steven G Greenbaum, Tell Tuttle, Chunhua Tony Hu, Christopher J Bettinger, Rein V Ulijn
Polymeric peptide pigments with sequence-encoded properties. Science (New York, N.Y.) 356 (6342) (2018)
Joshua P Barham, Samuel E Dalton, Mark Allison, Giuseppe Nocera, Allan Young, Matthew P John, Thomas McGuire, Sebastien Campos, Tell Tuttle, John A Murphy
Dual Roles for Potassium Hydride in Haloarene Reduction: CSNAr and Single Electron Transfer Reduction via Organic Electron Donors Formed in Benzene. Journal of the American Chemical Society 140 (36) (2018)
Inês P Moreira, Tomasz K Piskorz, Jan H van Esch, Tell Tuttle, Rein V Ulijn
Biocatalytic Self-Assembly of Tripeptide Gels and Emulsions. Langmuir : the ACS journal of surfaces and colloids 33 (20) (2017)