Decoding the protein–ligand interactions using parallel graph neural networks von Knutson, Carter, Bontha, Mridula, Bilbrey, Jenna A., Kumar, Neeraj

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Machine Learning Models for Predicting Molecular UV–Vis Spectra with Quantum Mechanical Properties von McNaughton, Andrew D., Joshi, Rajendra P., Knutson, Carter R., Fnu, Anubhav, Luebke, Kevin J., Malerich, Jeremiah P., Madrid, Peter B., Kumar, Neeraj

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CACTUS: Chemistry Agent Connecting Tool Usage to Science von McNaughton, Andrew D., Sankar Ramalaxmi, Gautham Krishna, Kruel, Agustin, Knutson, Carter R., Varikoti, Rohith A., Kumar, Neeraj

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Machine Learning Models for Predicting Molecular UV–Vis Spectra with Quantum Mechanical Properties von McNaughton, Andrew D, Joshi, Rajendra P, Knutson, Carter R, Fnu, Anubhav, Luebke, Kevin J, Malerich, Jeremiah P, Madrid, Peter B, Kumar, Neeraj

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Dynamic Molecular Graph-based Implementation for Biophysical Properties Prediction von Knutson, Carter, Panapitiya, Gihan, Varikoti, Rohith, Kumar, Neeraj

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CACTUS: Chemistry Agent Connecting Tool-Usage to Science von McNaughton, Andrew D, Ramalaxmi, Gautham, Kruel, Agustin, Knutson, Carter R, Varikoti, Rohith A, Kumar, Neeraj

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Decoding the Protein-ligand Interactions Using Parallel Graph Neural Networks von Knutson, Carter, Bontha, Mridula, Bilbrey, Jenna A, Kumar, Neeraj

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De novo design of protein target specific scaffold-based Inhibitors via Reinforcement Learning von McNaughton, Andrew D, Bontha, Mridula S, Knutson, Carter R, Pope, Jenna A, Kumar, Neeraj

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Assessing Reusability of Deep Learning-Based Monotherapy Drug Response Prediction Models Trained with Omics Data von Overbeek, Jamie C, Partin, Alexander, Brettin, Thomas S, Chia, Nicholas, Narykov, Oleksandr, Vasanthakumari, Priyanka, Wilke, Andreas, Zhu, Yitan, Clyde, Austin, Jones, Sara, Gnanaolivu, Rohan, Liu, Yuanhang, Jiang, Jun, Wang, Chen, Knutson, Carter, McNaughton, Andrew, Kumar, Neeraj, Fernando, Gayara Demini, Ghosh, Souparno, Sanchez-Villalobos, Cesar, Zhang, Ruibo, Pal, Ranadip, Weil, M. Ryan, Stevens, Rick L

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Dynamic Molecular Graph-based Implementation for Biophysical Properties Prediction von Knutson, Carter, Panapitiya, Gihan, Varikoti, Rohith, Kumar, Neeraj

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DRUG DISCOVERY VIA REINFORCEMENT LEARNING WITH THREE-DIMENSIONAL MODELING von Kumar, Neeraj, Bontha, Mridula V.S, Pope, Jenna A, Knutson, Carter R, McNaughton, Andrew D

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Decoding the Protein-ligand Interactions Using Parallel Graph Neural Networks von Knutson, Carter, Bontha, Mridula, Bilbrey, Jenna A, Kumar, Neeraj

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De novo design of protein target specific scaffold-based Inhibitors via Reinforcement Learning von McNaughton, Andrew D, Bontha, Mridula S, Knutson, Carter R, Pope, Jenna A, Kumar, Neeraj

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Assessing Reusability of Deep Learning-Based Monotherapy Drug Response Prediction Models Trained with Omics Data von Overbeek, Jamie C, Partin, Alexander, Brettin, Thomas S, Chia, Nicholas, Narykov, Oleksandr, Vasanthakumari, Priyanka, Wilke, Andreas, Zhu, Yitan, Austin, Clyde, Jones, Sara, Gnanaolivu, Rohan, Liu, Yuanhang, Jiang, Jun, Wang, Chen, Knutson, Carter, McNaughton, Andrew, Kumar, Neeraj, Gayara Demini Fernando, Ghosh, Souparno, Sanchez-Villalobos, Cesar, Zhang, Ruibo, Pal, Ranadip, M Ryan Weil, Stevens, Rick L

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Taking to "heart" the proposed legislation for permanent daylight saving time von Carter, Jason R, Knutson, Kristen L, Mokhlesi, Babak

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The Complete Transmission Spectrum of WASP-39b with a Precise Water Constraint von Wakeford, H. R., Sing, D. K., Deming, D., Lewis, N. K., Goyal, J., Wilson, T. J., Barstow, J., Kataria, T., Drummond, B., Evans, T. M., Carter, A. L., Nikolov, N., Knutson, H. A., Ballester, G. E., Mandell, A. M.

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Iron accumulation with age, oxidative stress and functional decline von Xu, Jinze, Knutson, Mitchell D, Carter, Christy S, Leeuwenburgh, Christiaan

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HLA class-I and class-II restricted neoantigen loads predict overall survival in breast cancer von Ren, Yingxue, Cherukuri, Yesesri, Wickland, Daniel P., Sarangi, Vivekananda, Tian, Shulan, Carter, Jodi M., Mansfield, Aaron S., Block, Matthew S., Sherman, Mark E., Knutson, Keith L., Lin, Yi, Asmann, Yan W.

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Pre-treatment peripheral blood immunophenotyping and response to neoadjuvant chemotherapy in operable breast cancer von Leon-Ferre, Roberto A, Whitaker, Kaitlyn R, Suman, Vera J, Hoskin, Tanya, Giridhar, Karthik V, Moore, Raymond M, Al-Jarrad, Ahmad, McLaughlin, Sarah A, Northfelt, Donald W, Hunt, Katie N, Conners, Amy Lynn, Moyer, Ann, Carter, Jodi M, Kalari, Krishna, Weinshilboum, Richard, Wang, Liewei, Ingle, James N, Knutson, Keith L, Ansell, Stephen M, Boughey, Judy C, Goetz, Matthew P, Villasboas, Jose C

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The operational environment and rotational acceleration of asteroid (101955) Bennu from OSIRIS-REx observations von Shelly, F. C., Howell, E. S., Fornasier, S., Golish, D. R., Scheeres, D. J., Small, J., Hanna, K.L. Donaldson, Warren, T., Millington-Veloza, S., Allen, B., McGraw, L., Johnson, C.L., Susorney, H.C.M., Hanna, R.D., Ciceri, F., Glotch, T., Thomas, C.A., Tachibana, S., Epifani, E. Mazzotta, Crombie, M.K., Izawa, M.R.M., Licandro, J., Chesley, S.R., Elder, C.M., Corvin, M., Leonard, J.M., Lessac-Chenen, E., Levine, A., Page, B., Wolff, P., Hayne, P., Deshapriya, J.D.P., Bierhaus, E.B., Buck, B., Church, E., Coltrin, M., Deguzman, A., Ellis, D., Fisher, A., Freund, S., Gonzales, S., Haas, P., Hasten, A., Hilbert, A., Mario, C., Miller, C., Mirfakhrai, A., Skeen, M., Ballouz, R.-L., Bandrowski, R., Bennett, C.A., Brodbeck, J., Chojnacki, M., Colpo, A., DellaGiustina, D.N., Enos, R., Ferro, T., Fisher, M.R., Hammond, D., Harshman, K., Herzog, K., Janakus, A., Munoz, R., Polit, A., Ramos, N., Tang, Y.H., Westermann, M., Hagee, W., Hill, J., Piacentine, N., Sandford, S. A., Barker, M., Emr, C., Fennell, D., Folta, D., Hyde, K., Ingegneri, A., Jones, N., Liounis, A., Lorentson, C., Moore, W., Moreau, M., Rieger, S., Morris, M., Nakamura-Messenger, K., Dill, K., Molaro, J.L., Zou, X.-D., French, A.S., Jawin, E.R., Killgore, M., Chodas, M., Freemantle, J., Craft, K., Nair, A.H., Perry, M.E., Roberts, J.H., Manzoni, C., May, B.

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