| Docking and scoring in virtual screening for drug discovery: methods and applications DB Kitchen, H Decornez, JR Furr, J Bajorath Nature reviews Drug discovery 3 (11), 935-949, 2004 | 4813 | 2004 |
| Human B7-1 (CD80) and B7-2 (CD86) bind with similar avidities but distinct kinetics to CD28 and CTLA-4 receptors PS Linsley, JAL Greene, W Brady, J Bajorath, JA Ledbetter, R Peach Immunity 1 (9), 793-801, 1994 | 1346 | 1994 |
| Integration of virtual and high-throughput screening J Bajorath Nature Reviews Drug Discovery 1 (11), 882-894, 2002 | 1250 | 2002 |
| Polypharmacology: challenges and opportunities in drug discovery: miniperspective A Anighoro, J Bajorath, G Rastelli Journal of medicinal chemistry 57 (19), 7874-7887, 2014 | 1066 | 2014 |
| B7-H4, a molecule of the B7 family, negatively regulates T cell immunity GL Sica, IH Choi, G Zhu, K Tamada, SD Wang, H Tamura, AI Chapoval, ... Immunity 18 (6), 849-861, 2003 | 1058 | 2003 |
| The CD40 ligand, gp39, is defective in activated T cells from patients with X-linked hyper-IgM syndrome A Aruffo, M Farrington, D Hollenbaugh, XU Li, A Milatovich, S Nonoyama, ... Cell 72 (2), 291-300, 1993 | 1007 | 1993 |
| Rational development of LEA29Y (belatacept), a high-affinity variant of CTLA4-Ig with potent immunosuppressive properties CP Larsen, TC Pearson, AB Adams, P Tso, N Shirasugi, E Strobertb, ... American Journal of Transplantation 5 (3), 443-453, 2005 | 820 | 2005 |
| Immune regulation by CD40 and its ligand GP39 TM Foy, A Aruffo, J Bajorath, JE Buhlmann, RJ Noelle Annual review of immunology 14 (1), 591-617, 1996 | 803 | 1996 |
| QSAR without borders EN Muratov, J Bajorath, RP Sheridan, IV Tetko, D Filimonov, V Poroikov, ... Chemical Society Reviews 49 (11), 3525-3564, 2020 | 719 | 2020 |
| Molecular similarity in medicinal chemistry: miniperspective G Maggiora, M Vogt, D Stumpfe, J Bajorath Journal of medicinal chemistry 57 (8), 3186-3204, 2014 | 675 | 2014 |
| Molecular similarity analysis in virtual screening: foundations, limitations and novel approaches H Eckert, J Bajorath Drug discovery today 12 (5-6), 225-233, 2007 | 582 | 2007 |
| Application of Generative Autoencoder in De Novo Molecular Design T Blaschke, M Olivecrona, O Engkvist, J Bajorath, H Chen Molecular informatics 37 (1-2), 1700123, 2018 | 454 | 2018 |
| Interpretation of machine learning models using shapley values: application to compound potency and multi-target activity predictions R Rodríguez-Pérez, J Bajorath Journal of computer-aided molecular design 34 (10), 1013-1026, 2020 | 419 | 2020 |
| Molecular modeling and functional mapping of B7-H1 and B7-DC uncouple costimulatory function from PD-1 interaction S Wang, J Bajorath, DB Flies, H Dong, T Honjo, L Chen The Journal of experimental medicine 197 (9), 1083-1091, 2003 | 407 | 2003 |
| Current trends in ligand-based virtual screening: molecular representations, data mining methods, new application areas, and performance evaluation H Geppert, M Vogt, J Bajorath Journal of chemical information and modeling 2 (50), 205-216, 2010 | 385 | 2010 |
| Exploring activity cliffs in medicinal chemistry: miniperspective D Stumpfe, J Bajorath Journal of medicinal chemistry 55 (7), 2932-2942, 2012 | 383 | 2012 |
| Complementarity determining region 1 (CDR1)-and CDR3-analogous regions in CTLA-4 and CD28 determine the binding to B7-1. RJ Peach, J Bajorath, W Brady, G Leytze, J Greene, J Naemura, ... The Journal of experimental medicine 180 (6), 2049-2058, 1994 | 383 | 1994 |
| Expression vectors encoding bispecific fusion proteins and methods of producing biologically active bispecific fusion proteins in a mammalian cell JA Ledbetter, LK Gilliland, MS Hayden, PS Linsley, J Bajorath, HP Fell US Patent 6,132,992, 2000 | 365 | 2000 |
| The membrane-bound and soluble forms of HLA-G bind identical sets of endogenous peptides but differ with respect to TAP association N Lee, AR Malacko, A Ishitani, MC Chen, J Bajorath, H Marquardt, ... Immunity 3 (5), 591-600, 1995 | 361 | 1995 |
| Selected concepts and investigations in compound classification, molecular descriptor analysis, and virtual screening J Bajorath Journal of chemical information and computer sciences 41 (2), 233-245, 2001 | 327 | 2001 |
