Deep learning the structural determinants of protein biochemical properties by comparing structural ensembles with DiffNets von Ward, Michael D., Zimmerman, Maxwell I., Meller, Artur, Chung, Moses, Swamidass, S. J., Bowman, Gregory R.

Volltext

Kernels for small molecules and the prediction of mutagenicity, toxicity and anti-cancer activity von Swamidass, S. Joshua, Chen, Jonathan, Bruand, Jocelyne, Phung, Peter, Ralaivola, Liva, Baldi, Pierre

Volltext

Mining small-molecule screens to repurpose drugs von Swamidass, S. Joshua

Volltext

Functional census of mutation sequence spaces: the example of p53 cancer rescue mutants von Danziger, S.A., Swamidass, S.J., Jue Zeng, Dearth, L.R., Qiang Lu, Chen, J.H., Cheng, J., Hoang, V.P., Saigo, H., Luo, R., Baldi, P., Brachmann, R.K., Lathrop, R.H.

Volltext

Graph kernels for chemical informatics von Ralaivola, Liva, Swamidass, Sanjay J., Saigo, Hiroto, Baldi, Pierre

Volltext

Accounting for noise when clustering biological data von Sloutsky, Roman, Jimenez, Nicolas, Swamidass, S Joshua, Naegle, Kristen M

Volltext

Computational Approach to Structural Alerts: Furans, Phenols, Nitroaromatics, and Thiophenes von Dang, Na Le, Hughes, Tyler B, Miller, Grover P, Swamidass, S. Joshua

Volltext

ChemDB: a public database of small molecules and related chemoinformatics resources von Chen, Jonathan, Swamidass, S. Joshua, Dou, Yimeng, Bruand, Jocelyne, Baldi, Pierre

Volltext

Structure-Based Inhibitor Design of AccD5, an Essential Acyl-CoA Carboxylase Carboxyltransferase Domain of Mycobacterium tuberculosis von Lin, Ting-Wan, Melgar, Melrose M., Kurth, Daniel, Swamidass, S. Joshua, Purdon, John, Tseng, Teresa, Gago, Gabriela, Baldi, Pierre, Gramajo, Hugo, Tsai, Shiou-Chuan

Volltext

Precision medicine in pancreatic disease-knowledge gaps and research opportunities: Summary of a national institute of diabetes and digestive and kidney diseases workshop von Lowe, ME, Andersen, DK, Caprioli, RM, Choudhary, J, Cruz-Monserrate, Z, Dasyam, AK, Forsmark, CE, Gorelick, FS, Gray, JW, Haupt, M, Kelly, KA, Olive, KP, Plevritis, SK, Rappaport, N, Roth, HR, Steen, H, Swamidass, SJ, Tirkes, T, Uc, A, Veselkov, K, Whitcomb, DC, Habtezion, A

Volltext

Open Source Drug Discovery with the Malaria Box Compound Collection for Neglected Diseases and Beyond von Adams, JH, Adelfio, R, Ahyong, V, Akabas, MH, Alday, A, Andrews, KT, Baker, S, Bounaadja, L, Bowling, T, Brea, J, Brennan, M, Camarda, G, Carrasquilla, M, Carter, D, Belen Cassera, M, Chindaudomsate, W, Corbett, Y, Crowther, GJ, Cowan, N, D'Alessandro, S, Du, AY, Abd El-Salam El-Sayed, S, Fidock, DA, Galstian, A, Gold, B, Golub, T, Goldgof, GM, Guiguemde, WA, Hansen, MA, Hemphill, A, Hooft van Huijsduijnen, R, Hughes, TB, Igarashi, I, Ingram-Sieber, K, Jadhav, A, Jensen, LT, Jiang, RH, Kaiser, A, Kim, S, Kirk, K, Kumar, VP, Kyle, DE, Lafuente, MJ, Lee, N, Lehane, AM, Liu, L, Lubar, A, Mansour, NR, March, S, McGowan, S, Medina Vera, I, Meister, S, Mercer, L, Mfopa, AN, Misra, RN, Moon, S, Moore, JP, Morais Rodrigues da Costa, F, Müller, J, Muriana, A, Narraidoo, N, Nawaratna, S, Ojo, KK, Panic, G, Papadatos, G, Patra, K, Plouffe, DM, Poulsen, SA, Rice, CA, Ruecker, A, St Onge, R, Samra, J, Robinett, NG, Schlecht, U, Schmitt, M, Silva Villela, F, Silvestrini, F, Soldati, T, Spitzmüller, A, Stamm, SM, Sullivan, DJ, Suresh, S, Taramelli, D, Tchokouaha, LR, Theron, A, Thomas, D, Tonissen, KF, Tripathi, AK, Udenze, KO, Vigil, E, Vinetz, JM, Watanabe, NA, White, PM, Wojcik, E, Wree, M, Abla, N, Blasco, B, Burrows, J, Laleu, B, Willis, PA

Volltext

Statistical distribution of chemical fingerprints von SWAMIDASS, S. Joshua, BALDI, Pierre

Volltext

A survey of current trends in computational drug repositioning von Li, Jiao, Zheng, Si, Chen, Bin, Butte, Atul J, Swamidass, S Joshua, Lu, Zhiyong

Volltext

Opportunities and obstacles for deep learning in biology and medicine von Ching, Travers, Himmelstein, Daniel S., Beaulieu-Jones, Brett K., Kalinin, Alexandr A., Do, Brian T., Way, Gregory P., Ferrero, Enrico, Agapow, Paul-Michael, Zietz, Michael, Hoffman, Michael M., Xie, Wei, Rosen, Gail L., Lengerich, Benjamin J., Israeli, Johnny, Lanchantin, Jack, Woloszynek, Stephen, Carpenter, Anne E., Shrikumar, Avanti, Xu, Jinbo, Cofer, Evan M., Lavender, Christopher A., Turaga, Srinivas C., Alexandari, Amr M., Lu, Zhiyong, Harris, David J., DeCaprio, Dave, Qi, Yanjun, Kundaje, Anshul, Peng, Yifan, Wiley, Laura K., Segler, Marwin H. S., Boca, Simina M., Swamidass, S. Joshua, Huang, Austin, Gitter, Anthony, Greene, Casey S.

Volltext

Accuracy of 3D Printed Models Created by Two Technologies of Printers with Different Designs of Model Base von Rungrojwittayakul, Oraphan, Kan, Joseph Y., Shiozaki, Kenzo, Swamidass, Rajesh S., Goodacre, Brian J., Goodacre, Charles J., Lozada, Jaime L.

Volltext

Accounting for proximal variants improves neoantigen prediction von Hundal, Jasreet, Kiwala, Susanna, Feng, Yang-Yang, Liu, Connor J., Govindan, Ramaswamy, Chapman, William C., Uppaluri, Ravindra, Swamidass, S. Joshua, Griffith, Obi L., Mardis, Elaine R., Griffith, Malachi

Volltext

A 3D-printed guide for lateral approach sinus grafting: A dental technique von Goodacre, Brian J., Swamidass, Rajesh S., Lozada, Jaime, Al-Ardah, Aladdin, Sahl, Erik

Volltext

Bigger data, collaborative tools and the future of predictive drug discovery von Ekins, Sean, Clark, Alex M., Swamidass, S. Joshua, Litterman, Nadia, Williams, Antony J.

Volltext

Abutment screw torque changes with straight and angled screw-access channels von Swamidass, Rajesh S., Kan, Joseph Y.K., Kattadiyil, Mathew T., Goodacre, Charles J., Lozada, Jaime

Volltext

A deep learning approach to automate refinement of somatic variant calling from cancer sequencing data von Ainscough, Benjamin J., Barnell, Erica K., Ronning, Peter, Campbell, Katie M., Wagner, Alex H., Fehniger, Todd A., Dunn, Gavin P., Uppaluri, Ravindra, Govindan, Ramaswamy, Rohan, Thomas E., Griffith, Malachi, Mardis, Elaine R., Swamidass, S. Joshua, Griffith, Obi L.

Volltext