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2020 – today
- 2022
[j20]Jannis Born
, Yoel Shoshan, Tien Huynh, Wendy D. Cornell, Eric J. Martin, Matteo Manica:
On the Choice of Active Site Sequences for Kinase-Ligand Affinity Prediction. J. Chem. Inf. Model. 62(18): 4295-4299 (2022)- [j19]William J. Godinez, Eric J. Ma, Alexander T. Chao, Luying Pei, Peter Skewes-Cox, Stephen M. Canham, Jeremy L. Jenkins, Joseph M. Young, Eric J. Martin, Armand Guiguemde:
Design of potent antimalarials with generative chemistry. Nat. Mach. Intell. 4(2): 180-186 (2022) - 2021
- [j18]Nicolas Bosc, Eloy Felix, Ricardo Arcila, David Mendez, Martin R. Saunders, Darren V. S. Green, Jason Ochoada, Anang A. Shelat, Eric J. Martin, Preeti Iyer, Ola Engkvist, Andreas Verras, James Duffy, Jeremy N. Burrows, J. Mark F. Gardner, Andrew R. Leach:
MAIP: a web service for predicting blood-stage malaria inhibitors. J. Cheminformatics 13(1): 13 (2021) - [j17]Eric J. Martin, Xiang-Wei Zhu:
Collaborative Profile-QSAR: A Natural Platform for Building Collaborative Models among Competing Companies. J. Chem. Inf. Model. 61(4): 1603-1616 (2021) - [c1]Aviv Elor, Tiffany Thang, Benjamin Paul Hughes, Alison Crosby, Amy Phung, Everardo Gonzalez, Kakani Katija, Steven H. D. Haddock, Eric J. Martin, Benjamin Eric Erwin, Leila Takayama:
Catching Jellies in Immersive Virtual Reality: A Comparative Teleoperation Study of ROVs in Underwater Capture Tasks. VRST 2021: 17:1-17:10 - 2020
- [j16]Eric J. Martin, Johanna M. Jansen:
Biased Diversity for Effective Virtual Screening. J. Chem. Inf. Model. 60(9): 4116-4119 (2020)
2010 – 2019
- 2019
- [j15]Eric J. Martin, Valery R. Polyakov, Xiang-Wei Zhu, Li Tian, Prasenjit Mukherjee, Xin Liu:
All-Assay-Max2 pQSAR: Activity Predictions as Accurate as Four-Concentration IC50s for 8558 Novartis Assays. J. Chem. Inf. Model. 59(10): 4450-4459 (2019) - 2017
- [j14]Eric J. Martin, Valery R. Polyakov, Li Tian, Rolando C. Perez:
Profile-QSAR 2.0: Kinase Virtual Screening Accuracy Comparable to Four-Concentration IC50s for Realistically Novel Compounds. J. Chem. Inf. Model. 57(8): 2077-2088 (2017) - [i1]Peter Ertl, Richard Lewis, Eric J. Martin, Valery R. Polyakov:
In silico generation of novel, drug-like chemical matter using the LSTM neural network. CoRR abs/1712.07449 (2017) - 2015
- [j13]Nikolaus Stiefl, Peter Gedeck, Donovan Chin, Peter Hunt, Mika K. Lindvall, Katrin Spiegel, Clayton Springer, Scott Biller, Christoph L. Buenemann, Takanori Kanazawa, Mitsunori Kato, Richard Lewis, Eric J. Martin, Valery R. Polyakov, Ruben Tommasi, John H. Van Drie, Brian Vash, Lewis Whitehead, Yongjin Xu, Ruben Abagyan, Eugene Raush, Maxim Totrov:
FOCUS - Development of a Global Communication and Modeling Platform for Applied and Computational Medicinal Chemists. J. Chem. Inf. Model. 55(4): 896-908 (2015) - 2013
- [j12]Yufeng Jane Tseng, Eric J. Martin, Cristian Bologa, Anang A. Shelat:
Cheminformatics aspects of high throughput screening: from robots to models: symposium summary. J. Comput. Aided Mol. Des. 27(5): 443-453 (2013) - 2012
- [j11]Eric J. Martin, Peter Ertl, Peter Hunt, José S. Duca, Richard Lewis:
Gazing into the crystal ball; the future of computer-aided drug design. J. Comput. Aided Mol. Des. 26(1): 77-79 (2012) - [j10]Eric J. Martin, Prasenjit Mukherjee:
Kinase-Kernel Models: Accurate In silico Screening of 4 Million Compounds Across the Entire Human Kinome. J. Chem. Inf. Model. 52(1): 156-170 (2012) - [j9]Prasenjit Mukherjee, Eric J. Martin:
Profile-QSAR and Surrogate AutoShim Protein-Family Modeling of Proteases. J. Chem. Inf. Model. 52(9): 2430-2440 (2012) - 2011
- [j8]Eric J. Martin, Prasenjit Mukherjee, David C. Sullivan, Johanna M. Jansen:
Profile-QSAR: A Novel meta-QSAR Method that Combines Activities across the Kinase Family To Accurately Predict Affinity, Selectivity, and Cellular Activity. J. Chem. Inf. Model. 51(8): 1942-1956 (2011) - [j7]Prasenjit Mukherjee, Eric J. Martin:
Development of a Minimal Kinase Ensemble Receptor (MKER) for Surrogate AutoShim. J. Chem. Inf. Model. 51(10): 2697-2705 (2011)
2000 – 2009
- 2009
- [j6]Pascal Bonnet, Dimitris K. Agrafiotis, Fangqiang Zhu, Eric J. Martin:
Conformational Analysis of Macrocycles: Finding What Common Search Methods Miss. J. Chem. Inf. Model. 49(10): 2242-2259 (2009) - 2008
- [j5]David C. Sullivan, Eric J. Martin:
Exploiting Structure-Activity Relationships in Docking. J. Chem. Inf. Model. 48(4): 817-830 (2008) - [j4]Eric J. Martin, David C. Sullivan:
AutoShim: Empirically Corrected Scoring Functions for Quantitative Docking with a Crystal Structure and IC50 Training Data. J. Chem. Inf. Model. 48(4): 861-872 (2008) - [j3]Eric J. Martin, David C. Sullivan:
Surrogate AutoShim: Predocking into a Universal Ensemble Kinase Receptor for Three Dimensional Activity Prediction, Very Quickly, without a Crystal Structure. J. Chem. Inf. Model. 48(4): 873-881 (2008) - 2007
- [j2]Dimitris K. Agrafiotis, Alan C. Gibbs, Fangqiang Zhu, Sergei Izrailev, Eric J. Martin:
Conformational Sampling of Bioactive Molecules: A Comparative Study. J. Chem. Inf. Model. 47(3): 1067-1086 (2007) - 2000
- [j1]Eric J. Martin, Alex Wong:
Sensitivity Analysis and Other Improvements to Tailored Combinatorial Library Design. J. Chem. Inf. Comput. Sci. 40(2): 215-220 (2000)
Coauthor Index
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