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Combinatorial Chemistry & High Throughput Screening
|
April 23, 2002
A probabilistic approach to high throughput drug discovery
Paul Labute, Shahul Nilar, Christopher Williams
Proteins
|
April 10, 2014
Assessment of fully automated antibody homology modeling protocols in molecular operating environment
Johannes K X Maier, Paul Labute
Journal of Chemical Information and Modeling
|
May 23, 2006
2D structure depiction
Alex M Clark, Paul Labute, Martin Santavy
Journal of Computer-Aided Molecular Design
|
May 9, 2012
Variability in docking success rates due to dataset preparation
Christopher R Corbeil, Christopher I Williams, Paul Labute
Journal of Chemical Theory and Computation
|
March 18, 2014
A Cavity Corrected 3D-RISM Functional for Accurate Solvation Free Energies
Jean-François Truchon, B Montgomery Pettitt, Paul Labute
Angewandte Chemie (International Ed. in English)
|
September 30, 2015
Understanding P450-mediated Bio-transformations into Epoxide and Phenolic Metabolites
Anna Tomberg, Joshua Pottel, Zhaomin Liu, et al.
Mabs
|
October 11, 2021
Structure-based charge calculations for predicting isoelectric point, viscosity, clearance, and profiling antibody therapeutics
Nels Thorsteinson, John R Gunn, Kenneth Kelly, et al.
Journal of Chemical Information and Modeling
|
December 19, 2017
Atom Types Independent Molecular Mechanics Method for Predicting the Conformational Energy of Small Molecules
Zhaomin Liu, Stephen J Barigye, Moeed Shahamat, et al.
Journal of Chemical Information and Modeling
|
March 31, 2016
Elucidating Hyperconjugation from Electronegativity to Predict Drug Conformational Energy in a High Throughput Manner
Zhaomin Liu, Joshua Pottel, Moeed Shahamat, et al.
Journal of Chemical Information and Modeling
|
June 27, 2020
Use of Extended-Hückel Descriptors for Rapid and Accurate Predictions of Conjugated Torsional Energy Barriers
Wanlei Wei, Candide Champion, Stephen J Barigye, et al.
Page
of 3
Search research articles
Search
Showing results (11-20 of 24) with videos related to
Sort By:
Page
of 3
Combinatorial Chemistry & High Throughput Screening
|
April 23, 2002
A probabilistic approach to high throughput drug discovery
Paul Labute, Shahul Nilar, Christopher Williams
Proteins
|
April 10, 2014
Assessment of fully automated antibody homology modeling protocols in molecular operating environment
Johannes K X Maier, Paul Labute
Journal of Chemical Information and Modeling
|
May 23, 2006
2D structure depiction
Alex M Clark, Paul Labute, Martin Santavy
Journal of Computer-Aided Molecular Design
|
May 9, 2012
Variability in docking success rates due to dataset preparation
Christopher R Corbeil, Christopher I Williams, Paul Labute
Journal of Chemical Theory and Computation
|
March 18, 2014
A Cavity Corrected 3D-RISM Functional for Accurate Solvation Free Energies
Jean-François Truchon, B Montgomery Pettitt, Paul Labute
Angewandte Chemie (International Ed. in English)
|
September 30, 2015
Understanding P450-mediated Bio-transformations into Epoxide and Phenolic Metabolites
Anna Tomberg, Joshua Pottel, Zhaomin Liu, et al.
Mabs
|
October 11, 2021
Structure-based charge calculations for predicting isoelectric point, viscosity, clearance, and profiling antibody therapeutics
Nels Thorsteinson, John R Gunn, Kenneth Kelly, et al.
Journal of Chemical Information and Modeling
|
December 19, 2017
Atom Types Independent Molecular Mechanics Method for Predicting the Conformational Energy of Small Molecules
Zhaomin Liu, Stephen J Barigye, Moeed Shahamat, et al.
Journal of Chemical Information and Modeling
|
March 31, 2016
Elucidating Hyperconjugation from Electronegativity to Predict Drug Conformational Energy in a High Throughput Manner
Zhaomin Liu, Joshua Pottel, Moeed Shahamat, et al.
Journal of Chemical Information and Modeling
|
June 27, 2020
Use of Extended-Hückel Descriptors for Rapid and Accurate Predictions of Conjugated Torsional Energy Barriers
Wanlei Wei, Candide Champion, Stephen J Barigye, et al.
Page
of 3