Jonathan D. Hirst
Orcid: 0000-0002-2726-0983
According to our database1,
Jonathan D. Hirst
authored at least 45 papers
between 1994 and 2024.
Collaborative distances:
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Bibliography
2024
Optimizing Excipient Properties to Prevent Aggregation in Biopharmaceutical Formulations.
J. Chem. Inf. Model., January, 2024
2023
J. Chem. Inf. Model., May, 2023
2022
J. Chem. Inf. Model., 2022
Alchemical Free Energy Methods Applied to Complexes of the First Bromodomain of BRD4.
J. Chem. Inf. Model., 2022
Effect of Oriented Electric Fields on Biologically Relevant Iron-Sulfur Clusters: Tuning Redox Reactivity for Catalysis.
J. Chem. Inf. Model., 2022
2020
2017
Quantum chemical calculations of tryptophan → heme electron and excitation energy transfer rates in myoglobin.
J. Comput. Chem., 2017
J. Comput. Chem., 2017
Simulating Biomolecules: Festschrift to commemorate the 60th birthday of Charles L. Brooks III.
J. Comput. Chem., 2017
2011
Molecular dynamics simulations and in silico peptide ligand screening of the Elk-1 ETS domain.
J. Cheminformatics, 2011
J. Comput. Chem., 2011
2010
Molecular docking and QSAR of aplyronine A and analogues: potent inhibitors of actin.
J. Comput. Aided Mol. Des., 2010
Evol. Intell., 2010
Predicting <i>beta</i>-turns and their types using predicted backbone dihedral angles and secondary structures.
BMC Bioinform., 2010
BMC Bioinform., 2010
2009
Soft Comput., 2009
Interpretable correlation descriptors for quantitative structure-activity relationships.
J. Cheminformatics, 2009
Comput. Biol. Chem., 2009
Prediction of backbone dihedral angles and protein secondary structure using support vector machines.
BMC Bioinform., 2009
2008
Proceedings of the Learning Classifier Systems in Data Mining, 2008
Bioinform., 2008
2007
TMACC: Interpretable Correlation Descriptors for Quantitative Structure-Activity Relationships.
J. Chem. Inf. Model., 2007
ProCKSI: a decision support system for Protein (Structure) Comparison, Knowledge, Similarity and Information.
BMC Bioinform., 2007
Automated alphabet reduction method with evolutionary algorithms for protein structure prediction.
Proceedings of the Genetic and Evolutionary Computation Conference, 2007
2006
Coordination number prediction using learning classifier systems: performance and interpretability.
Proceedings of the Genetic and Evolutionary Computation Conference, 2006
From HP Lattice Models to Real Proteins: Coordination Number Prediction Using Learning Classifier Systems.
Proceedings of the Applications of Evolutionary Computing, 2006
2005
Exploring Phase-Transfer Catalysis with Molecular Dynamics and 3D/4D Quantitative Structure-Selectivity Relationships.
J. Chem. Inf. Model., 2005
Inhibition of the Tyrosine Kinase, Syk, Analyzed by Stepwise Nonparametric Regression.
J. Chem. Inf. Model., 2005
Lattice models of peptide aggregation: Evaluation of conformational search algorithms.
J. Comput. Chem., 2005
A fuzzy sets based generalization of contact maps for the overlap of protein structures.
Fuzzy Sets Syst., 2005
2004
Bioinform., 2004
Proceedings of the Biological and Artificial Intelligence Environments, 2004
2002
Proceedings of the Parallel Problem Solving from Nature, 2002
Alignment Of Protein Structures With A Memetic Evolutionary Algorithm.
Proceedings of the GECCO 2002: Proceedings of the Genetic and Evolutionary Computation Conference, 2002
2000
J. Chem. Inf. Comput. Sci., 2000
1998
1994
Quantitative structure-activity relationships by neural networks and inductive logic programming. II. The inhibition of dihydrofolate reductase by triazines.
J. Comput. Aided Mol. Des., 1994
Quantitative structure-activity relationships by neural networks and inductive logic programming. I. The inhibition of dihydrofolate reductase by pyrimidines.
J. Comput. Aided Mol. Des., 1994