Paul Labute

According to our database1, Paul Labute authored at least 25 papers between 1993 and 2020.

Collaborative distances:
  • Dijkstra number2 of five.
  • Erdős number3 of four.

Timeline

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Bibliography

2020
Use of Extended-Hückel Descriptors for Rapid and Accurate Predictions of Conjugated Torsional Energy Barriers.
J. Chem. Inf. Model., 2020

2019
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., 2019

Atom Type Independent Modeling of the Conformational Energy of Benzylic, Allylic, and Other Bonds Adjacent to Conjugated Systems.
J. Chem. Inf. Model., 2019

2018
Atom Types Independent Molecular Mechanics Method for Predicting the Conformational Energy of Small Molecules.
J. Chem. Inf. Model., 2018

2016
Elucidating Hyperconjugation from Electronegativity to Predict Drug Conformational Energy in a High Throughput Manner.
J. Chem. Inf. Model., 2016

2014
Pharmacophore annotation using extended Hückel theory.
J. Cheminformatics, 2014

2013
Rationalisation and visualisation of non-bonded interactions.
J. Cheminformatics, 2013

Efficient mining of protein kinase structural data.
J. Cheminformatics, 2013

2012
Variability in docking success rates due to dataset preparation.
J. Comput. Aided Mol. Des., 2012

2010
LowModeMD - Implicit Low-Mode Velocity Filtering Applied to Conformational Search of Macrocycles and Protein Loops.
J. Chem. Inf. Model., 2010

Pocket Similarity: Are α Carbons Enough?
J. Chem. Inf. Model., 2010

Training a Scoring Function for the Alignment of Small Molecules.
J. Chem. Inf. Model., 2010

Calibrative approaches to protein solubility modeling of a mutant series using physicochemical descriptors.
J. Comput. Aided Mol. Des., 2010

2008
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., 2008

2007
2D Depiction of Protein-Ligand Complexes.
J. Chem. Inf. Model., 2007

2006
2D Structure Depiction.
J. Chem. Inf. Model., 2006

2005
On the Perception of Molecules from 3D Atomic Coordinates.
J. Chem. Inf. Model., 2005

1999
Binary Quantitative Structure-Activity Relationship (QSAR) Analysis of Estrogen Receptor Ligands.
J. Chem. Inf. Comput. Sci., 1999

Binary QSAR: A New Method for the Determination of Quantitative Structure Activity Relationships.
Proceedings of the 4th Pacific Symposium on Biocomputing, 1999

1996
Bi-directional graph search strategies for speech recognition.
Comput. Speech Lang., 1996

1994
New graph search techniques for speech recognition.
Proceedings of ICASSP '94: IEEE International Conference on Acoustics, 1994

Fast match acoustic models in large vocabulary continuous speech recognition.
Proceedings of ICASSP '94: IEEE International Conference on Acoustics, 1994

1993
Issues in large scale statistical language modeling.
Proceedings of the Third European Conference on Speech Communication and Technology, 1993

A very fast method for scoring phonetic transcriptions.
Proceedings of the Third European Conference on Speech Communication and Technology, 1993

A new fast match for very large vocabulary continuous speech recognition.
Proceedings of the IEEE International Conference on Acoustics, 1993


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