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Robust identification of interactions between heat-stress responsive genes in the chicken brain using Bayesian networks and augmented expression data.
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- Scientific Reports, 2024, v. 14, n. 1, p. 1, doi. 10.1038/s41598-024-58679-3
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- Article
Allosteric activation unveils protein-mass modulation of ATP phosphoribosyltransferase product release.
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- Communications Chemistry, 2024, v. 7, p. 1, doi. 10.1038/s42004-024-01165-8
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- Article
Computational Insights into the Catalytic Mechanism of Is‐PETase: An Enzyme Capable of Degrading Poly(ethylene) Terephthalate.
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- Chemistry - A European Journal, 2022, v. 28, n. 70, p. 1, doi. 10.1002/chem.202201728
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- Article
Practical application of a Bayesian network approach to poultry epigenetics and stress.
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- BMC Bioinformatics, 2022, v. 23, n. 1, p. 1, doi. 10.1186/s12859-022-04800-0
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- Article
A Bayesian network structure learning approach to identify genes associated with stress in spleens of chickens.
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- Scientific Reports, 2022, v. 12, n. 1, p. 1, doi. 10.1038/s41598-022-11633-7
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- Article
We are probably not Sims.
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- Science & Christian Belief, 2020, v. 32, n. 1, p. 45
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- Article
Drug Design for CNS Diseases: Polypharmacological Profiling of Compounds Using Cheminformatic, 3D-QSAR and Virtual Screening Methodologies.
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- Frontiers in Neuroscience, 2016, p. 1, doi. 10.3389/fnins.2016.00265
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- Article
A Random Forest Model for Predicting Allosteric and Functional Sites on Proteins.
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- Molecular Informatics, 2016, v. 35, n. 3/4, p. 125, doi. 10.1002/minf.201500108
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- Article
Enzyme mechanism prediction: a template matching problem on InterPro signature subspaces.
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- BMC Research Notes, 2015, v. 8, p. 1, doi. 10.1186/s13104-015-1730-7
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- Article
A note on utilising binary features as ligand descriptors.
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- Journal of Cheminformatics, 2015, v. 7, p. 1, doi. 10.1186/s13321-015-0105-3
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- Article
Greedy and Linear Ensembles of Machine Learning Methods Outperform Single Approaches for QSPR Regression Problems.
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- Molecular Informatics, 2015, v. 34, n. 9, p. 634, doi. 10.1002/minf.201400122
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- Article
Verifying the fully "Laplacianised" posterior Naïve Bayesian approach and more.
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- Journal of Cheminformatics, 2015, v. 7, n. 1, p. 1, doi. 10.1186/s13321-015-0075-5
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- Article
Machine learning methods in chemoinformatics.
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- WIREs: Computational Molecular Science, 2014, v. 4, n. 5, p. 468, doi. 10.1002/wcms.1183
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- Article
From sequence to enzyme mechanism using multi-label machine learning.
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- BMC Bioinformatics, 2014, v. 15, n. 1, p. 1, doi. 10.1186/1471-2105-15-150
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- Article
The Natural History of Biocatalytic Mechanisms.
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- PLoS Computational Biology, 2014, v. 10, n. 5, p. 1, doi. 10.1371/journal.pcbi.1003642
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- Article
PFClust: an optimised implementation of a parameter-free clustering algorithm.
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- Source Code for Biology & Medicine, 2014, v. 9, n. 1, p. 1, doi. 10.1186/1751-0473-9-5
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- Article
4273π: Bioinformatics education on low cost ARM hardware.
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- BMC Bioinformatics, 2013, v. 14, n. 1, p. 1, doi. 10.1186/1471-2105-14-243
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- Article
PFClust: a novel parameter free clustering algorithm.
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- BMC Bioinformatics, 2013, v. 14, n. 1, p. 1, doi. 10.1186/1471-2105-14-213
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- Article
Predicting the protein targets for athletic performance-enhancing substances.
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- Journal of Cheminformatics, 2013, v. 5, n. 1, p. 1, doi. 10.1186/1758-2946-5-31
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- Article
Winnow based identification of potent hERG inhibitors in silico: comparative assessment on different datasets.
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- 2012
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- Abstract
Characterizing the complexity of enzymes on the basis of their mechanisms and structures with a bio-computational analysis.
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- FEBS Journal, 2011, v. 278, n. 20, p. 3835, doi. 10.1111/j.1742-4658.2011.08190.x
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- Article
Development and Comparison of hERG Blocker Classifiers: Assessment on Different Datasets Yields Markedly Different Results.
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- Molecular Informatics, 2011, v. 30, n. 5, p. 443, doi. 10.1002/minf.201000159
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- Article
A machine learning approach to predicting protein–ligand binding affinity with applications to molecular docking.
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- Bioinformatics, 2010, v. 26, n. 9, p. 1169, doi. 10.1093/bioinformatics/btq112
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- Article
Quantitative Comparison of Catalytic Mechanisms and Overall Reactions in Convergently Evolved Enzymes: Implications for Classification of Enzyme Function.
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- PLoS Computational Biology, 2010, v. 6, n. 3, p. 1, doi. 10.1371/journal.pcbi.1000700
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- Article
Support vector inductive logic programming outperforms the naive Bayes classifier and inductive logic programming for the classification of bioactive chemical compounds.
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- Journal of Computer-Aided Molecular Design, 2007, v. 21, n. 5, p. 269, doi. 10.1007/s10822-007-9113-3
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- Article
MACiE (Mechanism, Annotation and Classification in Enzymes): novel tools for searching catalytic mechanisms.
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- Nucleic Acids Research, 2007, v. 35, p. d515, doi. 10.1093/nar/gkl774
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- Article
MACiE: a database of enzyme reaction mechanisms.
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- Bioinformatics, 2005, v. 21, n. 23, p. 4315, doi. 10.1093/bioinformatics/bti693
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- Article
Chemistry in Bioinformatics.
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- BMC Bioinformatics, 2005, v. 6, p. 141, doi. 10.1186/1471-2105-6-141
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- Article
Communication and re-use of chemical information in bioscience.
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- BMC Bioinformatics, 2005, v. 6, p. 180, doi. 10.1186/1471-2105-6-180
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- Article
Evaluation of a knowledge-based potential of mean force for scoring docked protein-ligand complexes.
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- Journal of Computational Chemistry, 2001, v. 22, n. 7, p. 673, doi. 10.1002/jcc.1036
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- Article
Electrostatic factors in DNA intercalation.
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- Biopolymers, 1999, v. 52, n. 2, p. 84, doi. 10.1002/1097-0282(1999)52:2<84::AID-BIP2>3.0.CO;2-S
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- Article
B LEEP-potential of mean force describing protein-ligand interactions: I. Generating potential.
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- Journal of Computational Chemistry, 1999, v. 20, n. 11, p. 1165, doi. 10.1002/(SICI)1096-987X(199908)20:11<1165::AID-JCC7>3.0.CO;2-A
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- Article
B LEEP-potential of mean force describing protein-ligand interactions: II. Calculation of binding energies and comparison with experimental data.
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- Journal of Computational Chemistry, 1999, v. 20, n. 11, p. 1177, doi. 10.1002/(SICI)1096-987X(199908)20:11<1177::AID-JCC8>3.0.CO;2-0
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- Article
Gaussian multipoles in practice: Electrostatic energies for intermolecular potentials.
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- Journal of Computational Chemistry, 1994, v. 15, n. 11, p. 1187, doi. 10.1002/jcc.540151102
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- Article
The nature of the N H...︁OC hydrogen bond: An intermolecular perturbation theory study of the formamide/formaldehyde complex.
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- Journal of Computational Chemistry, 1990, v. 11, n. 10, p. 1217, doi. 10.1002/jcc.540111014
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- Article