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Alberto 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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