Insights for Predicting Blood-Brain Barrier Penetration of CNS Targeted Molecules Using QSPR Approaches von Fan, Yi, Unwalla, Rayomand, Denny, Rajiah A, Di, Li, Kerns, Edward H, Diller, David J, Humblet, Christine

Volltext

An enriched structural kinase database to enable kinome‐wide structure‐based analyses and drug discovery von Brooijmans, Natasja, Chang, Yu‐Wei, Mobilio, Dominick, Denny, Rajiah A., Humblet, Christine

Volltext

A structural informatics approach to mine kinase knowledge bases von Brooijmans, Natasja, Mobilio, Dominick, Walker, Gary, Nilakantan, Ramaswamy, Denny, Rajiah A., Feyfant, Eric, Diller, David, Bikker, Jack, Humblet, Christine

Volltext

Abstract 598: A novel allosteric CBL-B inhibitor with differentiated immune enhancing activity in preclinical models von Qi, Yilin, Kuai, Jun, Bi, Yingzhi, Sun, Huadong, Conrady, Deborah G., Govindaraj, Rajiv G., Hone, Graham, Denny, Rajiah A., Carson, Ken, Reilly, Timothy, Harriman, Geraldine, Wang, Fang

Volltext

A structural information approach to mine kinase knowledge bases von BROOIJMANS, Natasja, MOBILIO, Dominick, WALKER, Gary, NILAKANTAN, Ramaswamy, DENNY, Rajiah A, FEYFANT, Eric, DILLER, David, BIKKER, Jack, HUMBLET, Christine

Volltext

AI-Based Protein Structure Prediction in Drug Discovery: Impacts and Challenges von Schauperl, Michael, Denny, Rajiah Aldrin

Volltext

Computational Modeling of β‑Secretase 1 (BACE-1) Inhibitors Using Ligand Based Approaches von Subramanian, Govindan, Ramsundar, Bharath, Pande, Vijay, Denny, Rajiah Aldrin

Volltext

Millisecond dynamics of BTK reveal kinome-wide conformational plasticity within the apo kinase domain von Sultan, Mohammad M., Denny, Rajiah Aldrin, Unwalla, Ray, Lovering, Frank, Pande, Vijay S.

Volltext

Improved correction of F508del-CFTR biogenesis with a folding facilitator and an inhibitor of protein ubiquitination von Goeckeler-Fried, Jennifer L., Aldrin Denny, Rajiah, Joshi, Disha, Hill, Clare, Larsen, Mads B., Chiang, Annette N., Frizzell, Raymond A., Wipf, Peter, Sorscher, Eric J., Brodsky, Jeffrey L.

Volltext

Small Molecules That Target Protein Misfolding von Gavrin, Lori Krim, Denny, Rajiah Aldrin, Saiah, Eddine

Volltext

Recent applications of computational methods to allosteric drug discovery von Govindaraj, Rajiv Gandhi, Thangapandian, Sundar, Schauperl, Michael, Denny, Rajiah Aldrin, Diller, David J

Volltext

Markov modeling reveals novel intracellular modulation of the human TREK-2 selectivity filter von Harrigan, Matthew P., McKiernan, Keri A., Shanmugasundaram, Veerabahu, Denny, Rajiah Aldrin, Pande, Vijay S.

Volltext

Recent developments in targeting protein misfolding diseases von Denny, Rajiah Aldrin, Gavrin, Lori Krim, Saiah, Eddine

Volltext

Estimation of relative free energies of binding using pre‐computed ensembles based on the single‐step free energy perturbation and the site‐identification by Ligand competitive sat... von Raman, E. Prabhu, Lakkaraju, Sirish Kaushik, Denny, Rajiah Aldrin, MacKerell, Alexander D.

Volltext

Computational Modeling of [Beta]-Secretase 1 (BACE-1) Inhibitors Using Ligand Based Approaches von Subramanian, Govindan, Ramsundar, Bharath, Pande, Vijay, Denny, Rajiah Aldrin

Volltext

Identification and SAR of a new series of thieno[3,2- d]pyrimidines as Tpl2 kinase inhibitors von Ni, Yike, Gopalsamy, Ariamala, Cole, Derek, Hu, Yonghan, Denny, Rajiah, Ipek, Manus, Liu, Julie, Lee, Julie, Hall, J. Perry, Luong, Michael, Telliez, Jean-Baptiste, Lin, Lih-Ling

Volltext

Selective, Small-Molecule Co-Factor Binding Site Inhibition of a Su(var)3–9, Enhancer of Zeste, Trithorax Domain Containing Lysine Methyltransferase von Taylor, Alexandria P, Swewczyk, Magdalena, Kennedy, Steven, Trush, Viacheslav V, Wu, Hong, Zeng, Hong, Dong, Aiping, Ferreira de Freitas, Renato, Tatlock, John, Kumpf, Robert A, Wythes, Martin, Casimiro-Garcia, Agustin, Denny, Rajiah Aldrin, Parikh, Mihir D, Li, Fengling, Barsyte-Lovejoy, Dalia, Schapira, Matthieu, Vedadi, Masoud, Brown, Peter J, Arrowsmith, Cheryl H, Owen, Dafydd R

Volltext

Discovery of indazoles as inhibitors of Tpl2 kinase von Hu, Yonghan, Cole, Derek, Denny, Rajiah Aldrin, Anderson, David R., Ipek, Manus, Ni, Yike, Wang, Xiaolun, Thaisrivongs, Suvit, Chamberlain, Timothy, Hall, J. Perry, Liu, Julie, Luong, Michael, Lin, Lih-Ling, Telliez, Jean-Baptiste, Gopalsamy, Ariamala

Volltext

Compounds, compositions and methods of treating disorders von HONE, GRAHAM A.B, DENNY, RAJIAH ALDRIN, GOVINDARAJ, RAJIV GANDHI, BI, YINGZHI, DILLER, DAVID J, HARRIMAN, GERALDINE CIRILLO, CARSON, KEN

Volltext bestellen

Pyrrolopyrimidines as CFTR synergists von ZAPF CHRISTOPH WOLFGANG, ELBAUM DANIEL, TORALENSSON, ATLI, EFREMOV IVAN VIKTOROVICH, STROHBACH JOSEPH WALTER, MATHIAS JOHN PAUL, DENNY RAJIAH ALDRIN, GAVRIN LORI KRIM, LIMBERG, DAVID, CHRISTOPHER

Volltext bestellen