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ORCIDAlberto Gobbi
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2020 – today
- 2022
[j16]Ignacio Aliagas
, Alberto Gobbi, Man-Ling Lee, Benjamin D. Sellers:
Comparison of logP and logD correction models trained with public and proprietary data sets. J. Comput. Aided Mol. Des. 36(3): 253-262 (2022)- [j15]Lorenzo D'amore, David F. Hahn, David L. Dotson, Joshua T. Horton, Jamshed Anwar, Ian Craig, Thomas Fox, Alberto Gobbi, Sirish Kaushik Lakkaraju, Xavier Lucas, Katharina Meier, David L. Mobley, Arjun Narayanan, Christina E. M. Schindler, William C. Swope, Pieter J. in 't Veld, Jeffrey Wagner, Bai Xue, Gary Tresadern:
Collaborative Assessment of Molecular Geometries and Energies from the Open Force Field. J. Chem. Inf. Model. 62(23): 6094-6104 (2022)
2010 – 2019
- 2019
- [j14]Benjamin D. Sellers, Natalie C. James, Alberto Gobbi:
Correction to "A Comparison of Quantum and Molecular Mechanical Methods to Estimate Strain Energy in Druglike Fragments". J. Chem. Inf. Model. 59(4): 1680 (2019) - 2017
- [j13]Man-Ling Lee, Ignacio Aliagas, Jianwen A. Feng, Thomas R. Gabriel, T. J. O'Donnell, Benjamin D. Sellers, Bernd Wiswedel, Alberto Gobbi:
chemalot and chemalot_knime: Command line programs as workflow tools for drug discovery. J. Cheminformatics 9(1): 38:1-38:14 (2017) - [j12]Benjamin D. Sellers, Natalie C. James, Alberto Gobbi:
A Comparison of Quantum and Molecular Mechanical Methods to Estimate Strain Energy in Druglike Fragments. J. Chem. Inf. Model. 57(6): 1265-1275 (2017) - 2015
- [j11]Ignacio Aliagas, Alberto Gobbi, Timothy Heffron, Man-Ling Lee, Daniel F. Ortwine, Mark Zak, S. Cyrus Khojasteh:
A probabilistic method to report predictions from a human liver microsomes stability QSAR model: a practical tool for drug discovery. J. Comput. Aided Mol. Des. 29(4): 327-338 (2015) - [j10]Jianwen A. Feng, Ignacio Aliagas, Philippe Bergeron, Jeffrey M. Blaney, Erin K. Bradley, Michael F. T. Koehler, Man-Ling Lee, Daniel F. Ortwine, Vickie Tsui, Johnny Wu, Alberto Gobbi:
An integrated suite of modeling tools that empower scientists in structure- and property-based drug design. J. Comput. Aided Mol. Des. 29(6): 511-523 (2015) - [j9]Alberto Gobbi, Anthony M. Giannetti, Huifen Chen, Man-Ling Lee:
Atom-Atom-Path similarity and Sphere Exclusion clustering: tools for prioritizing fragment hits. J. Cheminformatics 7: 11 (2015) - 2012
- [j8]Alberto Gobbi, Matthew A. Lardy, Sun-Hee Kim, Frank Ruebsam, Martin Tran, Stephen E. Webber, Alan X. Xiang:
Illuminator: Increasing Synergies Between Medicinal And Computational Chemists. Silico Biol. 11(1-2): 83-93 (2012) - [j7]Man-Ling Lee, Ignacio Aliagas, Jennafer Dotson, Jianwen A. Feng, Alberto Gobbi, Timothy Heffron:
DEGAS: Sharing and Tracking Target Compound Ideas with External Collaborators. J. Chem. Inf. Model. 52(2): 278-284 (2012) - [j6]Alberto Gobbi, Man-Ling Lee:
Handling of Tautomerism and Stereochemistry in Compound Registration. J. Chem. Inf. Model. 52(2): 285-292 (2012) - [j5]Matthew A. Lardy, Laurie LeBrun, Drew Bullard, Charles Kissinger, Alberto Gobbi:
Building a Three-Dimensional Model of CYP2C9 Inhibition Using the Autocorrelator: An Autonomous Model Generator. J. Chem. Inf. Model. 52(5): 1328-1336 (2012)
2000 – 2009
- 2008
- [j4]Drew Bullard, Alberto Gobbi, Matthew A. Lardy, Charles Perkins, Zach Little:
Hydra: A Self Regenerating High Performance Computing Grid for Drug Discovery. J. Chem. Inf. Model. 48(4): 811-816 (2008) - 2005
- [j3]Robin Hewitt, Alberto Gobbi, Man-Ling Lee:
A Searching and Reporting System for Relational Databases Using a Graph-Based Metadata Representation. J. Chem. Inf. Model. 45(4): 863-869 (2005) - 2004
- [j2]Alberto Gobbi, Sandra Funeriu, John Ioannou, Jinyi Wang, Man-Ling Lee, Chris Palmer, Bob Bamford, Robin Hewitt:
Process-Driven Information Management System at a Biotech Company: Concept and Implementation. J. Chem. Inf. Model. 44(3): 964-975 (2004) - 2003
- [j1]Alberto Gobbi, Man-Ling Lee:
DISE: Directed Sphere Exclusion. J. Chem. Inf. Comput. Sci. 43(1): 317-323 (2003)
Coauthor Index
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