| Concepts and applications of molecular similarity MA Johnson, GM Maggiora | 1702 | 1990 |
| On outliers and activity cliffs why QSAR often disappoints GM Maggiora Journal of chemical information and modeling 46 (4), 1535-1535, 2006 | 762 | 2006 |
| Molecular similarity in medicinal chemistry: miniperspective G Maggiora, M Vogt, D Stumpfe, J Bajorath Journal of medicinal chemistry 57 (8), 3186-3204, 2014 | 616 | 2014 |
| Domain structural class prediction. KC Chou, GM Maggiora Protein Engineering 11 (7), 523-538, 1998 | 201 | 1998 |
| Solitary wave dynamics as a mechanism for explaining the internal motion during microtubule growth KC Chou, CT Zhang, GM Maggiora Biopolymers: Original Research on Biomolecules 34 (1), 143-153, 1994 | 172 | 1994 |
| Assessment of the consistency of medicinal chemists in reviewing sets of compounds MS Lajiness, GM Maggiora, V Shanmugasundaram Journal of medicinal chemistry 47 (20), 4891-4896, 2004 | 169 | 2004 |
| Energetics of the structure of the four-alpha-helix bundle in proteins. KC Chou, GM Maggiora, G Némethy, HA Scheraga Proceedings of the National Academy of Sciences 85 (12), 4295-4299, 1988 | 168 | 1988 |
| Theoretical models for solvation and catalysis in carbonyl addition IH Williams, D Spangler, DA Femec, GM Maggiora, RL Schowen Journal of the American Chemical Society 105 (1), 31-40, 1983 | 163 | 1983 |
| Strategies for the use of mixture-based synthetic combinatorial libraries: scaffold ranking, direct testing in vivo, and enhanced deconvolution by computational methods RA Houghten, C Pinilla, MA Giulianotti, JR Appel, CT Dooley, A Nefzi, ... Journal of combinatorial chemistry 10 (1), 3-19, 2008 | 143 | 2008 |
| Prediction and classification of domain structural classes KC Chou, WM Liu, GM Maggiora, CT Zhang Proteins: Structure, Function, and Bioinformatics 31 (1), 97-103, 1998 | 136 | 1998 |
| MIMIC: A molecular‐field matching program. Exploiting applicability of molecular similarity approaches J Mestres, DC Rohrer, GM Maggiora Journal of Computational Chemistry 18 (7), 934-954, 1997 | 133 | 1997 |
| Development of a flexible intra‐and intermolecular empirical potential function for large molecular systems T Oie, GM Maggiora, RE Christoffersen, DJ Duchamp International Journal of Quantum Chemistry 20 (S8), 1-47, 1981 | 131 | 1981 |
| Stereoelectronic properties of photosynthetic and related systems. 1. Ab initio quantum mechanical ground state characterization of free base porphine, chlorin, and ethyl … D Spangler, GM Maggiora, LL Shipman, RE Christoffersen Journal of the American Chemical Society 99 (23), 7470-7477, 1977 | 108 | 1977 |
| Theoretical models for mechanism and catalysis in carbonyl addition IH Williams, GM Maggiora, RL Schowen Journal of the American Chemical Society 102 (27), 7831-7839, 1980 | 106 | 1980 |
| Molecular similarity measures GM Maggiora, V Shanmugasundaram Chemoinformatics and computational chemical biology, 39-100, 2011 | 105 | 2011 |
| Softening the rule of five—where to draw the line? J Petit, N Meurice, C Kaiser, G Maggiora Bioorganic & medicinal chemistry 20 (18), 5343-5351, 2012 | 102 | 2012 |
| Ab initio calculations on large molecules using molecular fragments. Evaluation and extension of initial procedures RE Christoffersen, D Spangler, GG Hall, GM Maggiora Journal of the American Chemical Society 95 (26), 8526-8536, 1973 | 101 | 1973 |
| A heuristic approach to predicting the tertiary structure of bovine somatotropin L Carlacci, KC Chou, GM Maggiora Biochemistry 30 (18), 4389-4398, 1991 | 100 | 1991 |
| Disposition of amphiphilic helices in heteropolar environments KC Chou, CT Zhang, GM Maggiora Proteins: Structure, Function, and Bioinformatics 28 (1), 99-108, 1997 | 94 | 1997 |
| Computational neural networks as model-free mapping devices GM Maggiora, DW Elrod, RG Trenary Journal of chemical information and computer sciences 32 (6), 732-741, 1992 | 93 | 1992 |
