Jürgen Bajorath
Jürgen Bajorath
Professor of Life Science Informatics, University of Bonn
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Cited by
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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
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
Integration of virtual and high-throughput screening
J Bajorath
Nature Reviews Drug Discovery 1 (11), 882-894, 2002
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
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
Polypharmacology: challenges and opportunities in drug discovery: miniperspective
A Anighoro, J Bajorath, G Rastelli
Journal of medicinal chemistry 57 (19), 7874-7887, 2014
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
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
Molecular similarity in medicinal chemistry: miniperspective
G Maggiora, M Vogt, D Stumpfe, J Bajorath
Journal of medicinal chemistry 57 (8), 3186-3204, 2014
QSAR without borders
EN Muratov, J Bajorath, RP Sheridan, IV Tetko, D Filimonov, V Poroikov, ...
Chemical Society Reviews 49 (11), 3525-3564, 2020
Molecular similarity analysis in virtual screening: foundations, limitations and novel approaches
H Eckert, J Bajorath
Drug discovery today 12 (5-6), 225-233, 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
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
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
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
Exploring activity cliffs in medicinal chemistry: miniperspective
D Stumpfe, J Bajorath
Journal of medicinal chemistry 55 (7), 2932-2942, 2012
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
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
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
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
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