Exploring protein structural dissimilarity to facilitate structure classification

por Jain, Pooja, Hirst, Jonathan D
Publicado 2009

Prediction of backbone dihedral angles and protein secondary structure using support vector machines

por Kountouris, Petros, Hirst, Jonathan D
Publicado 2009

Automatic structure classification of small proteins using random forest

por Jain, Pooja, Hirst, Jonathan D
Publicado 2010

Predicting β-turns and their types using predicted backbone dihedral angles and secondary structures

por Kountouris, Petros, Hirst, Jonathan D
Publicado 2010

Quantitative first principles calculations of protein circular dichroism in the near-ultraviolet

por Li, Zhuo, Hirst, Jonathan D.
Publicado 2017

Computed optical spectra of SARS-CoV-2 proteins()

por Li, Zhuo, Hirst, Jonathan D.
Publicado 2020

Prediction of glycosylation sites using random forests

por Hamby, Stephen E, Hirst, Jonathan D
Publicado 2008

Benzene, Toluene, and Monosubstituted Derivatives: Diabatic Nature of the Oscillator Strengths of S(1) ← S(0) Transitions

por Robinson, David, Alarfaji, Saleh S., Hirst, Jonathan D.
Publicado 2021

Molecular dynamics simulations and in silico peptide ligand screening of the Elk-1 ETS domain

por Hussain, Abrar, Shaw, Peter E, Hirst, Jonathan D
Publicado 2011

Interpretable correlation descriptors for quantitative structure-activity relationships

por Spowage, Benson M, Bruce, Craig L, Hirst, Jonathan D
Publicado 2009

Quantum chemical calculations of tryptophan → heme electron and excitation energy transfer rates in myoglobin

por Suess, Christian J., Hirst, Jonathan D., Besley, Nicholas A.
Publicado 2017

Docking and molecular dynamics simulations of the ternary complex nisin(2):lipid II

por Mulholland, Sam, Turpin, Eleanor R., Bonev, Boyan B., Hirst, Jonathan D.
Publicado 2016

Krein support vector machine classification of antimicrobial peptides

por Redshaw, Joseph, Ting, Darren S. J., Brown, Alex, Hirst, Jonathan D., Gärtner, Thomas
Publicado 2023

ProCKSI: a decision support system for Protein (Structure) Comparison, Knowledge, Similarity and Information

por Barthel, Daniel, Hirst, Jonathan D, Błażewicz, Jacek, Burke, Edmund K, Krasnogor, Natalio
Publicado 2007

Computing infrared spectra of proteins using the exciton model

por Husseini, Fouad S., Robinson, David, Hunt, Neil T., Parker, Anthony W., Hirst, Jonathan D.
Publicado 2016

AI4Green: An Open-Source ELN for Green and Sustainable Chemistry

por Boobier, Samuel, Davies, Joseph C., Derbenev, Ivan N., Handley, Christopher M., Hirst, Jonathan D.
Publicado 2023

Automated Alphabet Reduction for Protein Datasets

por Bacardit, Jaume, Stout, Michael, Hirst, Jonathan D, Valencia, Alfonso, Smith, Robert E, Krasnogor, Natalio
Publicado 2009

Alchemical Free Energy Methods Applied to Complexes of the First Bromodomain of BRD4

por Guest, Ellen E., Cervantes, Luis F., Pickett, Stephen D., Brooks, Charles L., Hirst, Jonathan D.
Publicado 2022

Machine-Learning-Enabled Virtual Screening for Inhibitors of Lysine-Specific Histone Demethylase 1

por Zhou, Jiajun, Wu, Shiying, Lee, Boon Giin, Chen, Tianwei, He, Ziqi, Lei, Yukun, Tang, Bencan, Hirst, Jonathan D.
Publicado 2021

Near-Ultraviolet Circular Dichroism and Two-Dimensional Spectroscopy of Polypeptides

por Segatta, Francesco, Rogers, David M., Dyer, Naomi T., Guest, Ellen E., Li, Zhuo, Do, Hainam, Nenov, Artur, Garavelli, Marco, Hirst, Jonathan D.
Publicado 2021