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P

Paul Labute

rutgers university new brunswick

21H指数
68论文数
3.7K被引数
收录论文 18
发表时间
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AMBER Free Energy Tools: A New Framework for the Design of Optimized Alchemical Transformation Pathways
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-01-09
err24
PREAI
errTsai, Hsu-Chun; Lee, Tai-Sung; Ganguly, Abir; Giese, Timothy J.; Ebert, Maximilian C. C. J. C.; Labute, Paul; Merz, Kenneth M., Jr.; York, Darrin M.
err分享
err收藏
Structure-based charge calculations for predicting isoelectric point, viscosity, clearance, and profiling antibody therapeutics
errMABS
IF7.3
err2021-10-10
err24
errOAAI
errThorsteinson, Nels; Gunn, John R.; Kelly, Kenneth; Long, Will; Labute, Paul
err分享
err收藏
Use of Extended-Huckel Descriptors for Rapid and Accurate Predictions of Conjugated Torsional Energy Barriers
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2020-06-26
err5
PREAI
errWei, Wanlei; Champion, Candide; Barigye, Stephen J.; Liu, Zhaomin; Labute, Paul; Moitessier, Nicolas
err分享
err收藏
Atom Type Independent Modeling of the Conformational Energy of Benzylic, Allylic, and Other Bonds Adjacent to Conjugated Systems
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2019-10-07
err5
errOAAI
errChampion, Candide; Barigye, Stephen J.; Wei, Wanlei; Liu, Zhaomin; Labute, Paul; Moitessier, Nicolas
err分享
err收藏
Torsional Energy Barriers of Biaryls Could Be Predicted by Electron Richness/Deficiency of Aromatic Rings; Advancement of Molecular Mechanics toward Atom-Type Independence
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2019-08-20
err9
errOAAI
errWei, Wanlei; Champion, Candide; Liu, Zhaomin; Barigye, Stephen J.; Labute, Paul; Moitessier, Nicolas
err分享
err收藏
Atom Types Independent Molecular Mechanics Method for Predicting the Conformational Energy of Small Molecules
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2018-01-05
err11
errOAAI
errLiu, Zhaomin; Barigye, Stephen J.; Shahamat, Moeed; Labute, Paul; Moitessier, Nicolas
err分享
err收藏
Elucidating Hyperconjugation from Electronegativity to Predict Drug Conformational Energy in a High Throughput Manner
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2016-04-12
err11
PREAI
errLiu, Zhaomin; Pottel, Joshua; Shahamat, Moeed; Tomberg, Anna; Labute, Paul; Moitessier, Nicolas
err分享
err收藏
Assessment of fully automated antibody homology modeling protocols in molecular operating environment
errPROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS
IF2.8
err2014-04-23
err98
errOAAI
errMaier, Johannes K. X.; Labute, Paul
err分享
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A Cavity Corrected 3D-RISM Functional for Accurate Solvation Free Energies
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2014-02-10
err127
errOAAI
errTruchon, Jean-Francois; Pettitt, B. Montgomery; Labute, Paul
err分享
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Variability in docking success rates due to dataset preparation
errJOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
IF3.1
err2012-05-08
err338
errOAAI
errCorbeil, Christopher R.; Williams, Christopher I.; Labute, Paul
err分享
err收藏
Antibody modeling assessment
errPROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS
IF2.8
err2011-09-21
err120
PREAI
errAlmagro, Juan C.; Beavers, Mary Pat; Hernandez-Guzman, Francisco; Maier, Johannes; Shaulsky, Jodi; Butenhof, Kenneth; Labute, Paul; Thorsteinson, Nels; Kelly, Kenneth; Teplyakov, Alexey; Luo, Jinquan; Sweet, Raymond; Gilliland, Gary L.
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Calibrative approaches to protein solubility modeling of a mutant series using physicochemical descriptors
errJOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
IF3.1
err2010-09-15
err26
errOAAI
errLong, William F.; Labute, P.
err分享
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Training a Scoring Function for the Alignment of Small Molecules
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2010-09-10
err29
errOAAI
errChan, Shek Ling; Labute, Paul
err分享
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Detection and Assignment of Common Scaffolds in Project Databases of Lead Molecules
errJOURNAL OF MEDICINAL CHEMISTRY
IF6.8
err2008-12-18
err49
PREAI
errClark, Alex M.; Labute, Paul
err分享
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2D depiction of protein - Ligand complexes
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2007-08-23
err139
PREAI
errClark, Alex M.; Labute, Paul
err分享
err收藏
2D structure depiction
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2006-04-14
err52
PREAI
errClark, AM; Labute, P; Santavy, M
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Flexible alignment of small molecules
errJOURNAL OF MEDICINAL CHEMISTRY
IF6.8
err2001-04-18
err163
PREAI
errLabute, P; Williams, C; Feher, M; Sourial, E; Schmidt, JM
err分享
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Bi-directional graph search strategies for speech recognition
errCOMPUTER SPEECH AND LANGUAGE
IF3.4
err1996-10-01
err3
PREAI
errLi, Z; Boulianne, G; Labute, P; Barszcz, M; Garudadri, H; Kenny, P
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研究方向

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合作学者
合作期刊
K
Kenneth M. Merz
H 指数: 83 · 论文数: 691
B
B. Montgomery Pettitt
H 指数: 68 · 论文数: 383
D
Darrin M. York
H 指数: 62 · 论文数: 329
G
Gary L. Gilliland
H 指数: 59 · 论文数: 339
P
Patrick Kenny
H 指数: 54 · 论文数: 347
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