Goldblum Lab

Recent Publications

Since 2010

• Correction to Prediction and Experimental Confirmation of Novel Peripheral Cannabinoid-1 Receptor Antagonists. S El-Atawneh, S Hirsch, R Hadar, J Tam, A Goldblum.Journal of chemical information and modeling 60(10):5282, 2020. doi: 10.1021/acs.jcim.0c01116.
• Computational design of substrate selective inhibition. B Da’adoosh, K Kaito, K Miyashita, M Sakaguchi, A Goldblum. PLoS computational biology 16 (3), e1007713, 2020.
• Prediction and Experimental Confirmation of Novel Peripheral Cannabinoid-1 Receptor Antagonists. S El-Atawneh, S Hirsch, R Hadar, J Tam, A Goldblum. Journal of chemical information and modeling 59 (9), 3996-4006, 2019.
• Discovering highly selective and diverse PPAR-delta agonists by ligand based machine learning and structural modeling. B Da’adoosh, D Marcus, A Rayan, F King, J Che, A Goldblum. Scientific reports 9 (1), 1-12, 2019.
• Iterative stochastic elimination for discovering hits and leads. S El-Atawneh, A Goldblum. Chim. Oggi—Chem. Today 35, 41-46, 2017.
• New drug candidates for liposomal delivery identified by computer modeling of liposomes' remote loading and leakage. A Cern, D Marcus, A Tropsha, Y Barenholz, A Goldblum. Journal of Controlled Release 252, 18-27, 2017.
• From finance to molecular modeling algorithms: The risk and return heuristic. I Lerner, A Goldblum, A Rayan, A Vardi, A Michaeli. Curr. Top. Pept. Protein Res 18, 117-131, 2017.
• Discovering novel and diverse iron-chelators in silico. A Basu, YS Sohn, M Alyan, R Nechushtai, AJ Domb, A Goldblum. Journal of Chemical Information and Modeling 56 (12), 2476-2485, 2016.
• Computational discovery and experimental confirmation of TLR9 receptor antagonist leads. M Zatsepin, A Mattes, S Rupp, D Finkelmeier, A Basu, A Burger-Kentischer, A Goldblum. Journal of chemical information and modeling 56 (9), 1835-1846, 2016.
• Nano-mupirocin: enabling the parenteral activity of mupirocin. A Cern, A Michael-Gayego, Y Bavli, E Koren, A Goldblum, AE Moses, YQ Xiong, Y Barenholz. European Journal of Nanomedicine 8 (3), 139-149, 2016.
• Structural basis of glycogen branching enzyme deficiency and pharmacologic rescue by rational peptide design. DS Froese, A Michaeli, TJ McCorvie, T Krojer, M Sasi, E Melaev, A Goldblum, M Zatsepin, A Lossos, R Álvarez, PV Escribá, BA Minassian, FV Delft, O Kakhlon, WW Yue. Human molecular genetics 24 (20), 5667-5676, 2015.
• Discovery of new and diverse TLR9 receptor antagonists for regulating innate immune reactions. A Goldblum, A Burger-Kentischer, A Mattes, M Zatsepin. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 249, 2015.
• Iterative stochastic elimination for solving complex combinatorial problems in drug discovery. N Stern, A Goldblum. Israel Journal of Chemistry 54 (8‐9), 1338-1357, 2014.
• Effect of solubilizing agents on mupirocin loading into and release from PEGylated nanoliposomes. A Cern, E Nativ-Roth, A Goldblum, Y Barenholz. Journal of pharmaceutical sciences 103 (7), 2131-2138, 2014.
• Computer-aided design of liposomal drugs: in silico prediction and experimental validation of drug candidates for liposomal remote loading. A Cern, Y Barenholz, A Tropsha, A Goldblum. Journal of Controlled Release 173, 125-131, 2014.
• Indexing molecules for their hERG liability. A Rayan, M Falah, J Raiyn, B Da'adoosh, S Kadan, H Zaid, A Goldblum. European Journal of Medicinal Chemistry 65, 304-314, 2013.
• Quantitative structure-property relationship modeling of remote liposome loading of drugs. A Cern, A Golbraikh, A Sedykh, A Tropsha, Y Barenholz, A Goldblum. Journal of controlled release 160 (2), 147-157, 2012.
• Understanding drug‐likeness. O Ursu, A Rayan, A Goldblum, TI Oprea. Wiley Interdisciplinary Reviews: Computational Molecular Science 1 (5), 760-781, 2011.
• Molecular Properties from Conformational Ensembles. 1. Dipole Moments of Molecules with Multiple Internal Rotations. T Lavy, D Harries, A Goldblum. The Journal of Physical Chemistry A 115 (23), 5794-5809, 2011.
• Flexible protein‐protein docking based on Best‐First search algorithm. E Noy, A Goldblum. Journal of computational chemistry 31 (9), 1929-1943, 2010.
• Predicting oral druglikeness by iterative stochastic elimination. A Rayan, D Marcus, A Goldblum. Journal of chemical information and modeling 50 (3), 437-445, 2010.
• Picking novel actives from large databases using a combined ranking method. D Marcus, D Barasch, A Rayan, A Goldblum. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 239, 2010.



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