| The Poisson–Boltzmann equation for biomolecular electrostatics: a tool for structural biology F Fogolari, A Brigo, H Molinari Journal of Molecular Recognition 15 (6), 377-392, 2002 | 792 | 2002 |
| In silico toxicology protocols GJ Myatt, E Ahlberg, Y Akahori, D Allen, A Amberg, LT Anger, A Aptula, ... Regulatory Toxicology and Pharmacology 96, 1-17, 2018 | 225 | 2018 |
| Protocol for MM/PBSA molecular dynamics simulations of proteins F Fogolari, A Brigo, H Molinari Biophysical Journal 85 (1), 159-166, 2003 | 218 | 2003 |
| Use of in silico systems and expert knowledge for structure-based assessment of potentially mutagenic impurities A Sutter, A Amberg, S Boyer, A Brigo, JF Contrera, LL Custer, KL Dobo, ... Regulatory Toxicology and Pharmacology 67 (1), 39-52, 2013 | 136 | 2013 |
| Comparative Evaluation of in Silico Systems for Ames Test Mutagenicity Prediction: Scope and Limitations A Hillebrecht, W Muster, A Brigo, M Kansy, T Weiser, T Singer Chemical research in toxicology 24 (6), 843-854, 2011 | 114 | 2011 |
| Principles and procedures for implementation of ICH M7 recommended (Q) SAR analyses A Amberg, L Beilke, J Bercu, D Bower, A Brigo, KP Cross, L Custer, ... Regulatory Toxicology and Pharmacology 77, 13-24, 2016 | 113 | 2016 |
| Quantitative Correlation of Solvent Polarity with the α‐/310‐Helix Equilibrium: A Heptapeptide Behaves as a Solvent‐Driven Molecular Spring P Pengo, L Pasquato, S Moro, A Brigo, F Fogolari, QB Broxterman, ... Angewandte Chemie International Edition 42 (29), 3388-3392, 2003 | 99 | 2003 |
| Genetic toxicology in silico protocol C Hasselgren, E Ahlberg, Y Akahori, A Amberg, LT Anger, F Atienzar, ... Regulatory Toxicology and Pharmacology 107, 104403, 2019 | 71 | 2019 |
| HIV-1 integrase pharmacophore model derived from diverse classes of inhibitors GI Mustata, A Brigo, JM Briggs Bioorganic & medicinal chemistry letters 14 (6), 1447-1454, 2004 | 64 | 2004 |
| Comparative molecular dynamics simulations of HIV‐1 integrase and the T66I/M154I mutant: Binding modes and drug resistance to a diketo acid inhibitor A Brigo, KW Lee, F Fogolari, GI Mustata, JM Briggs PROTEINS: Structure, Function, and Bioinformatics 59 (4), 723-741, 2005 | 61 | 2005 |
| Comparison of multiple molecular dynamics trajectories calculated for the drug-resistant HIV-1 integrase T66I/M154I catalytic domain A Brigo, KW Lee, GI Mustata, JM Briggs Biophysical journal 88 (5), 3072-3082, 2005 | 60 | 2005 |
| It's difficult, but important, to make negative predictions RV Williams, A Amberg, A Brigo, L Coquin, A Giddings, S Glowienke, ... Regulatory toxicology and pharmacology 76, 79-86, 2016 | 57 | 2016 |
| Skin sensitization in silico protocol C Johnson, E Ahlberg, LT Anger, L Beilke, R Benigni, J Bercu, S Bobst, ... Regulatory Toxicology and Pharmacology 116, 104688, 2020 | 46 | 2020 |
| Evaluation of a statistics-based Ames mutagenicity QSAR model and interpretation of the results obtained C Barber, A Cayley, T Hanser, A Harding, C Heghes, JD Vessey, ... Regulatory Toxicology and Pharmacology 76, 7-20, 2016 | 41 | 2016 |
| In silico approaches in carcinogenicity hazard assessment: current status and future needs RR Tice, A Bassan, A Amberg, LT Anger, MA Beal, P Bellion, R Benigni, ... Computational toxicology 20, 100191, 2021 | 34 | 2021 |
| Principles and procedures for handling out-of-domain and indeterminate results as part of ICH M7 recommended (Q) SAR analyses A Amberg, RV Andaya, LT Anger, C Barber, L Beilke, J Bercu, D Bower, ... Regulatory toxicology and pharmacology 102, 53-64, 2019 | 24 | 2019 |
| a Scrimin, P. Quantitative Correlation of Solvent Polarity with the α‐/310‐Helix Equilibrium: A Heptapeptide Behaves as a Solvent‐Driven Molecular Spring P Pengo, L Pasquato, S Moro, A Brigo, F Fogolari, Q Broxterman, ... Angew. Chemie 115, 3510-3514, 2003 | 21 | 2003 |
| Development of the threshold of toxicological concern concept and its relationship to duration of exposure A Brigo, L Müller Genotoxic Impurities: Strategies for Identification and Control, 27-63, 2011 | 17 | 2011 |
| Discovery of HIV-1 integrase inhibitors through a novel combination of ligand and structure-based drug design A Brigo, GI Mustata, JM Briggs, S Moro Medicinal Chemistry 1 (3), 263-275, 2005 | 14 | 2005 |
| Principles and procedures for assessment of acute toxicity incorporating in silico methods CM Zwickl, JC Graham, RA Jolly, A Bassan, E Ahlberg, A Amberg, ... Computational Toxicology 24, 100237, 2022 | 13 | 2022 |
