Cloud in Print
“Using Quantum Molecular Design & Cloud Computing to Improve the Accuracy & Success Probability of Drug Discovery”
Addison, E.; and Keinan, S.; Drug Dev. Delivery (2016) 16(2) 62-66.
“Phospholipid-Based Prodrugs for Drug Targeting in Inflammatory Bowel Disease: Computational Optimization and in-Vitro Correlation”
Dahan, A.; Ben-Shabat, S.; Cohen, N.; Keinan, S.; Kurnikov, I.; Aponick, A.; and Zimmermann, E. M.; Curr. Top. Med. Chem. (2016) 16 2543-2548.
https://www.ingentaconnect.com/content/ben/ctmc/2016/00000016/00000023/art00005
“The Serpintine Solution”
Lucas, A.; Ambadapadi, S.; Mahon, B.; Viswanathan, K.; Chen, H.; Liu, L.; Dai, E.; Munuswami-Ramanujam, G.; Kwiecien, J. M.; Yaron, J. R.; Narute, P. S.; McKenna, R.; Keinan, S.; Reeves, W.; Brantly, M.; Pepine, C.; and McFadden, G.; J. Clin. Exp. Cardiolog. (2017) 8(1).
https://www.omicsonline.org/open-access/the-serpintine-solution-2155-9880-1000e150.php?aid=85215
“In Silico Prediction of Ligand Binding Energies in Multiple Therapeutic Targets and Diverse Ligand Chemotypes – A Case Study on BACE1, TYK2, HSP90 and PERK Proteins”
Hatcher-Frush, E.; Sekharan, S.; and Keinan, S.; J. Phys. Chem. B (2017) 121 8142-8148.
https://pubs.acs.org/doi/abs/10.1021/acs.jpcb.7b07224
“Computational modeling and in-vitro/in-silico correlation of phospholipid-based prodrugs for targeted drug delivery in inflammatory bowel disease”
Dahan, A.; Markovic, M.; Keinan, S.; Kurnikov, I.; Aponick, A.; Zimmermann, E. M.; and Ben-Shabat, S.; J. Comp. Aided Mol. Des. (2017) 31 1021–1028
https://link.springer.com/article/10.1007%2Fs10822-017-0079-5
“Crystal Structure of Serp-1, a Myxomavirus-derived Immune Modulating Serpin; Structural Design of Serpin Reactive Center Loop (RCL) Peptides with Improved Therapeutic Function”
Mahon, B. P.; Ambadapadi, S.; Yaron, J.; Lomelino, C. L.; Pinard, M. A.; Keinan, S.; Kurnikov, I.; Macaulay, C.; Reeves, W.; McFadden, G.; Tibbetts, S.; McKenna, R.; and Lucas, A. R.; Biochemistry (2018) 57 1096-1107
https://pubs.acs.org/doi/10.1021/acs.biochem.7b01171
“Activation of the ß-common receptor by erythropoietin impairs acetylcholine mediated endothelium-dependent vasodilation in mouse mesenteric arterioles”
Kilar, C. R.; Diao, Y.P.; Sautina, L.; Sekharan, S.; Keinan, S.; Conrad, K.P.; Mohandas, R.; and Segal, M. S.; Physiol Rep. (2018) 6(12) e13751
https://physoc.onlinelibrary.wiley.com/doi/abs/10.14814/phy2.13751
“Computational Design and Experimental Characterization of a Novel ß-Common Receptor Inhibitory Peptide”
Kilar, C. R.; Sekharan, S.; Sautina, L.; Diao, Y.P.; Keinan, S.; Shen, Y.; Bungert, J.; Mohandas, R.; and Segal, M. S.; Peptides (2018) 104 1-6
https://www.sciencedirect.com/science/article/abs/pii/S019697811830069X
“Leveraging cloud computing for In-Silico drug design”
Keinan, S.; Hatcher-Frush, E.; and Shipman, W. J.; IEEE Trans. Comp. Sci. Eng. 10 July 2018
https://ieeexplore.ieee.org/abstract/document/8409367/
Addison, E.; and Keinan, S.; Drug Dev. Delivery (2016) 16(2) 62-66.
“Phospholipid-Based Prodrugs for Drug Targeting in Inflammatory Bowel Disease: Computational Optimization and in-Vitro Correlation”
Dahan, A.; Ben-Shabat, S.; Cohen, N.; Keinan, S.; Kurnikov, I.; Aponick, A.; and Zimmermann, E. M.; Curr. Top. Med. Chem. (2016) 16 2543-2548.
https://www.ingentaconnect.com/content/ben/ctmc/2016/00000016/00000023/art00005
“The Serpintine Solution”
Lucas, A.; Ambadapadi, S.; Mahon, B.; Viswanathan, K.; Chen, H.; Liu, L.; Dai, E.; Munuswami-Ramanujam, G.; Kwiecien, J. M.; Yaron, J. R.; Narute, P. S.; McKenna, R.; Keinan, S.; Reeves, W.; Brantly, M.; Pepine, C.; and McFadden, G.; J. Clin. Exp. Cardiolog. (2017) 8(1).
https://www.omicsonline.org/open-access/the-serpintine-solution-2155-9880-1000e150.php?aid=85215
“In Silico Prediction of Ligand Binding Energies in Multiple Therapeutic Targets and Diverse Ligand Chemotypes – A Case Study on BACE1, TYK2, HSP90 and PERK Proteins”
Hatcher-Frush, E.; Sekharan, S.; and Keinan, S.; J. Phys. Chem. B (2017) 121 8142-8148.
https://pubs.acs.org/doi/abs/10.1021/acs.jpcb.7b07224
“Computational modeling and in-vitro/in-silico correlation of phospholipid-based prodrugs for targeted drug delivery in inflammatory bowel disease”
Dahan, A.; Markovic, M.; Keinan, S.; Kurnikov, I.; Aponick, A.; Zimmermann, E. M.; and Ben-Shabat, S.; J. Comp. Aided Mol. Des. (2017) 31 1021–1028
https://link.springer.com/article/10.1007%2Fs10822-017-0079-5
“Crystal Structure of Serp-1, a Myxomavirus-derived Immune Modulating Serpin; Structural Design of Serpin Reactive Center Loop (RCL) Peptides with Improved Therapeutic Function”
Mahon, B. P.; Ambadapadi, S.; Yaron, J.; Lomelino, C. L.; Pinard, M. A.; Keinan, S.; Kurnikov, I.; Macaulay, C.; Reeves, W.; McFadden, G.; Tibbetts, S.; McKenna, R.; and Lucas, A. R.; Biochemistry (2018) 57 1096-1107
https://pubs.acs.org/doi/10.1021/acs.biochem.7b01171
“Activation of the ß-common receptor by erythropoietin impairs acetylcholine mediated endothelium-dependent vasodilation in mouse mesenteric arterioles”
Kilar, C. R.; Diao, Y.P.; Sautina, L.; Sekharan, S.; Keinan, S.; Conrad, K.P.; Mohandas, R.; and Segal, M. S.; Physiol Rep. (2018) 6(12) e13751
https://physoc.onlinelibrary.wiley.com/doi/abs/10.14814/phy2.13751
“Computational Design and Experimental Characterization of a Novel ß-Common Receptor Inhibitory Peptide”
Kilar, C. R.; Sekharan, S.; Sautina, L.; Diao, Y.P.; Keinan, S.; Shen, Y.; Bungert, J.; Mohandas, R.; and Segal, M. S.; Peptides (2018) 104 1-6
https://www.sciencedirect.com/science/article/abs/pii/S019697811830069X
“Leveraging cloud computing for In-Silico drug design”
Keinan, S.; Hatcher-Frush, E.; and Shipman, W. J.; IEEE Trans. Comp. Sci. Eng. 10 July 2018
https://ieeexplore.ieee.org/abstract/document/8409367/