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Paul Labute
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2020 – today
- 2020
- [j19]Wanlei Wei
, Candide Champion
Use of Extended-Hückel Descriptors for Rapid and Accurate Predictions of Conjugated Torsional Energy Barriers. J. Chem. Inf. Model. 60(7): 3534-3545 (2020)
2010 – 2019
- 2019
- [j18]Candide Champion
Atom Type Independent Modeling of the Conformational Energy of Benzylic, Allylic, and Other Bonds Adjacent to Conjugated Systems. J. Chem. Inf. Model. 59(11): 4750-4763 (2019) - [j17]Wanlei Wei
Torsional Energy Barriers of Biaryls Could Be Predicted by Electron Richness/Deficiency of Aromatic Rings; Advancement of Molecular Mechanics toward Atom-Type Independence. J. Chem. Inf. Model. 59(11): 4764-4777 (2019) - 2018
- [j16]Zhaomin Liu, Stephen J. Barigye
Atom Types Independent Molecular Mechanics Method for Predicting the Conformational Energy of Small Molecules. J. Chem. Inf. Model. 58(1): 194-205 (2018) - 2016
- [j15]Zhaomin Liu, Joshua Pottel
Elucidating Hyperconjugation from Electronegativity to Predict Drug Conformational Energy in a High Throughput Manner. J. Chem. Inf. Model. 56(4): 788-801 (2016) - 2014
- [j14]Paul Labute, Markus Kossner, Alain Ajamian, Martin Santavy, Anna Lin:
Pharmacophore annotation using extended Hückel theory. J. Cheminformatics 6(S-1): 54 (2014) - 2013
- [j13]Stephen Maginn, Andrew Henry, Paul Labute, Johannes Maier, Nels Thorsteinson:
Efficient mining of protein kinase structural data. J. Cheminformatics 5(S-1): 16 (2013) - [j12]Stephen Maginn
Rationalisation and visualisation of non-bonded interactions. J. Cheminformatics 5(S-1): 48 (2013) - 2012
- [j11]Christopher R. Corbeil
Variability in docking success rates due to dataset preparation. J. Comput. Aided Mol. Des. 26(6): 775-786 (2012) - 2010
- [j10]William F. Long, Paul Labute:
Calibrative approaches to protein solubility modeling of a mutant series using physicochemical descriptors. J. Comput. Aided Mol. Des. 24(11): 907-916 (2010) - [j9]Paul Labute:
LowModeMD - Implicit Low-Mode Velocity Filtering Applied to Conformational Search of Macrocycles and Protein Loops. J. Chem. Inf. Model. 50(5): 792-800 (2010) - [j8]Howard J. Feldman, Paul Labute:
Pocket Similarity: Are α Carbons Enough? J. Chem. Inf. Model. 50(8): 1466-1475 (2010) - [j7]Shek Ling Chan, Paul Labute:
Training a Scoring Function for the Alignment of Small Molecules. J. Chem. Inf. Model. 50(9): 1724-1735 (2010)
2000 – 2009
- 2008
- [j6]Paul Labute:
The generalized Born/volume integral implicit solvent model: Estimation of the free energy of hydration using London dispersion instead of atomic surface area. J. Comput. Chem. 29(10): 1693-1698 (2008) - 2007
- [j5]Alex M. Clark
2D Depiction of Protein-Ligand Complexes. J. Chem. Inf. Model. 47(5): 1933-1944 (2007) - 2006
- [j4]Alex M. Clark
2D Structure Depiction. J. Chem. Inf. Model. 46(3): 1107-1123 (2006) - 2005
- [j3]Paul Labute:
On the Perception of Molecules from 3D Atomic Coordinates. J. Chem. Inf. Model. 45(2): 215-221 (2005)
1990 – 1999
- 1999
- [j2]Hua Gao, Christopher I. Williams, Paul Labute, Jürgen Bajorath:
Binary Quantitative Structure-Activity Relationship (QSAR) Analysis of Estrogen Receptor Ligands. J. Chem. Inf. Comput. Sci. 39(1): 164-168 (1999) - [c6]Paul Labute:
Binary QSAR: A New Method for the Determination of Quantitative Structure Activity Relationships. Pacific Symposium on Biocomputing 1999: 444-455 - 1996
- [j1]Zhishun Li, Gilles Boulianne
Bi-directional graph search strategies for speech recognition. Comput. Speech Lang. 10(4): 295-321 (1996) - 1994
- [c5]Harinath Garudadri
Fast match acoustic models in large vocabulary continuous speech recognition. ICASSP (2) 1994: 157-160 - [c4]Patrick Kenny, Paul Labute, Zhishun Li, Douglas D. O'Shaughnessy:
New graph search techniques for speech recognition. ICASSP (1) 1994: 553-556 - 1993
- [c3]Patrick Kenny, Paul Labute, Zhishun Li, Rene Hollan, Matthew Lennig, Douglas D. O'Shaughnessy:
A new fast match for very large vocabulary continuous speech recognition. ICASSP (2) 1993: 656-659 - [c2]R. Zhao, Patrick Kenny, Paul Labute, Douglas D. O'Shaughnessy:
Issues in large scale statistical language modeling. EUROSPEECH 1993: 965-968 - [c1]Patrick Kenny, Paul Labute, Zhishun Li, Rene Hollan, Matthew Lennig, Douglas D. O'Shaughnessy:
A very fast method for scoring phonetic transcriptions. EUROSPEECH 1993: 2117-2120
Coauthor Index
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