Alberto Gobbi

16 papers Journal 16
YearRankTypeTitle / Venue / Authors
2022 J jnl
Collaborative Assessment of Molecular Geometries and Energies from the Open Force Field.
J. Chem. Inf. Model.
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
2022 J jnl
Comparison of logP and logD correction models trained with public and proprietary data sets.
J. Comput. Aided Mol. Des.
Ignacio Aliagas, Alberto Gobbi, Man-Ling Lee, Benjamin D. Sellers
2019 J jnl
Correction to "A Comparison of Quantum and Molecular Mechanical Methods to Estimate Strain Energy in Druglike Fragments".
J. Chem. Inf. Model.
Benjamin D. Sellers, Natalie C. James, Alberto Gobbi
2017 J jnl
A Comparison of Quantum and Molecular Mechanical Methods to Estimate Strain Energy in Druglike Fragments.
J. Chem. Inf. Model.
Benjamin D. Sellers, Natalie C. James, Alberto Gobbi
2017 J jnl
chemalot and chemalot_knime: Command line programs as workflow tools for drug discovery.
J. Cheminformatics
Man-Ling Lee, Ignacio Aliagas, Jianwen A. Feng, Thomas R. Gabriel, T. J. O'Donnell, Benjamin D. Sellers, Bernd Wiswedel, Alberto Gobbi
2015 J jnl
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.
Ignacio Aliagas, Alberto Gobbi, Timothy Heffron, Man-Ling Lee, Daniel F. Ortwine, Mark Zak, S. Cyrus Khojasteh
2015 J jnl
An integrated suite of modeling tools that empower scientists in structure- and property-based drug design.
J. Comput. Aided Mol. Des.
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
2015 J jnl
Atom-Atom-Path similarity and Sphere Exclusion clustering: tools for prioritizing fragment hits.
J. Cheminformatics
Alberto Gobbi, Anthony M. Giannetti, Huifen Chen, Man-Ling Lee
2012 J jnl
Building a Three-Dimensional Model of CYP2C9 Inhibition Using the Autocorrelator: An Autonomous Model Generator.
J. Chem. Inf. Model.
Matthew A. Lardy, Laurie LeBrun, Drew Bullard, Charles Kissinger, Alberto Gobbi
2012 J jnl
DEGAS: Sharing and Tracking Target Compound Ideas with External Collaborators.
J. Chem. Inf. Model.
Man-Ling Lee, Ignacio Aliagas, Jennafer Dotson, Jianwen A. Feng, Alberto Gobbi, Timothy Heffron
2012 J jnl
Handling of Tautomerism and Stereochemistry in Compound Registration.
J. Chem. Inf. Model.
Alberto Gobbi, Man-Ling Lee
2012 J jnl
Illuminator: Increasing Synergies Between Medicinal And Computational Chemists.
Silico Biol.
Alberto Gobbi, Matthew A. Lardy, Sun-Hee Kim, Frank Ruebsam, Martin Tran, Stephen E. Webber, Alan X. Xiang
2008 J jnl
Hydra: A Self Regenerating High Performance Computing Grid for Drug Discovery.
J. Chem. Inf. Model.
Drew Bullard, Alberto Gobbi, Matthew A. Lardy, Charles Perkins, Zach Little
2005 J jnl
A Searching and Reporting System for Relational Databases Using a Graph-Based Metadata Representation.
J. Chem. Inf. Model.
Robin Hewitt, Alberto Gobbi, Man-Ling Lee
2004 J jnl
Process-Driven Information Management System at a Biotech Company: Concept and Implementation.
J. Chem. Inf. Model.
Alberto Gobbi, Sandra Funeriu, John Ioannou, Jinyi Wang, Man-Ling Lee, Chris Palmer, Bob Bamford, Robin Hewitt
2003 J jnl
DISE: Directed Sphere Exclusion.
J. Chem. Inf. Comput. Sci.
Alberto Gobbi, Man-Ling Lee