Zobrazeno 1 - 10
of 371
pro vyhledávání: '"Lightstone, Felice C"'
Autor:
Fan, Ya Ju, Allen, Jonathan E., McLoughlin, Kevin S., Shi, Da, Bennion, Brian J., Zhang, Xiaohua, Lightstone, Felice C.
Neural Network (NN) models provide potential to speed up the drug discovery process and reduce its failure rates. The success of NN models require uncertainty quantification (UQ) as drug discovery explores chemical space beyond the training data dist
Externí odkaz:
http://arxiv.org/abs/2210.17043
Autor:
Aydin, Fikret, Georgouli, Konstantia, Dharuman, Gautham, Glosli, James N., Lightstone, Felice C., Ingólfsson, Helgi I., Bremer, Peer-Timo, Bhatia, Harsh
Improved understanding of the relation between the behavior of RAS and RAF proteins and the local lipid environment in the cell membrane is critical for getting insights into the mechanisms underlying cancer formation. In this work, we employ deep le
Externí odkaz:
http://arxiv.org/abs/2207.06630
Autor:
Georgouli, Konstantia, Ingólfsson, Helgi I, Aydin, Fikret, Heimann, Mark, Lightstone, Felice C, Bremer, Peer-Timo, Bhatia, Harsh
Capturing intricate biological phenomena often requires multiscale modeling where coarse and inexpensive models are developed using limited components of expensive and high-fidelity models. Here, we consider such a multiscale framework in the context
Externí odkaz:
http://arxiv.org/abs/2207.04333
Autor:
Morstein, Johannes, Bowcut, Victoria, Fernando, Micah, Yang, Yue, Zhu, Lawrence, Jenkins, Meredith L., Evans, John T., Guiley, Keelan Z., Peacock, D. Matthew, Krahnke, Sophie, Lin, Zhi, Taran, Katrine A., Huang, Benjamin J., Stephen, Andrew G., Burke, John E., Lightstone, Felice C., Shokat, Kevan M.
Publikováno v:
In Cell 31 October 2024 187(22):6379-6392
Autor:
Stanton, Liam G., Oppelstrup, Tomas, Carpenter, Timothy S., Ingólfsson, Helgi I., Surh, Michael P., Lightstone, Felice C., Glosli, James N.
We present a continuum model trained on molecular dynamics (MD) simulations for cellular membranes composed of an arbitrary number of lipid types. The model is constructed within the formalism of dynamic density functional theory and can be extended
Externí odkaz:
http://arxiv.org/abs/2112.08651
Autor:
Stevenson, Garrett A., Jones, Derek, Kim, Hyojin, Bennett, W. F. Drew, Bennion, Brian J., Borucki, Monica, Bourguet, Feliza, Epstein, Aidan, Franco, Magdalena, Harmon, Brooke, He, Stewart, Katz, Max P., Kirshner, Daniel, Lao, Victoria, Lau, Edmond Y., Lo, Jacky, McLoughlin, Kevin, Mosesso, Richard, Murugesh, Deepa K., Negrete, Oscar A., Saada, Edwin A., Segelke, Brent, Stefan, Maxwell, Torres, Marisa W., Weilhammer, Dina, Wong, Sergio, Yang, Yue, Zemla, Adam, Zhang, Xiaohua, Zhu, Fangqiang, Lightstone, Felice C., Allen, Jonathan E.
Structure-based Deep Fusion models were recently shown to outperform several physics- and machine learning-based protein-ligand binding affinity prediction methods. As part of a multi-institutional COVID-19 pandemic response, over 500 million small m
Externí odkaz:
http://arxiv.org/abs/2104.04547
Autor:
Sharma, Alok K., Pei, Jun, Yang, Yue, Dyba, Marcin, Smith, Brian, Rabara, Dana, Larsen, Erik K., Lightstone, Felice C., Esposito, Dominic, Stephen, Andrew G., Wang, Bin, Beltran, Pedro J., Wallace, Eli, Nissley, Dwight V., McCormick, Frank, Maciag, Anna E.
Publikováno v:
In Journal of Biological Chemistry February 2024 300(2)
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Autor:
Fan, Ya Ju, Allen, Jonathan E., McLoughlin, Kevin S., Shi, Da, Bennion, Brian J., Zhang, Xiaohua, Lightstone, Felice C.
Publikováno v:
In Artificial Intelligence Chemistry June 2023 1(1)
Autor:
Bhatia, Harsh, Aydin, Fikret, Carpenter, Timothy S., Lightstone, Felice C., Bremer, Peer-Timo, Ingólfsson, Helgi I., Nissley, Dwight V., Streitz, Frederick H.
Publikováno v:
In Current Opinion in Structural Biology June 2023 80