Zobrazeno 1 - 10
of 370
pro vyhledávání: '"T. McNutt"'
Autor:
Andrew T. McNutt, Paul Francoeur, Rishal Aggarwal, Tomohide Masuda, Rocco Meli, Matthew Ragoza, Jocelyn Sunseri, David Ryan Koes
Publikováno v:
Journal of Cheminformatics, Vol 13, Iss 1, Pp 1-20 (2021)
Abstract Molecular docking computationally predicts the conformation of a small molecule when binding to a receptor. Scoring functions are a vital piece of any molecular docking pipeline as they determine the fitness of sampled poses. Here we describ
Externí odkaz:
https://doaj.org/article/0acbd65d6e0e448cb2dda39d3167906b
Autor:
CS Mayo, MU Feng, KK Brock, R Kudner, P Balter, JC Buchsbaum, A Caissie, E Covington, EC Daugherty, AL Dekker, CD Fuller, AL Hallstrom, DS Hong, JC Hong, SC Kamran, E Katsoulakis, J Kildea, AV Krauze, JJ Kruse, T McNutt, M Mierzwa, A Moreno, JR Palta, R Popple, TG Purdie, S Richardson, GC Sharp, S Shiraishi, L Tarbox, AM Venkatesan, A Witztum, KE Woods, J Yao, K Farahani, S Aneja, PE Gabriel, L Hadjiiski, D Ruan, JH Siewerdsen, S Bratt, M Casagni, S Chen, J Christodouleas, A DiDonato, J Hayman, R Kapoor, S Kravitz, S Sebastian, M Von Siebenthal, Y Xiao
Publikováno v:
International Journal of Radiation Oncology*Biology*Physics.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::341b2ab0f70f546098d17c278efd7471
https://doi.org/10.1016/j.ijrobp.2023.05.033
https://doi.org/10.1016/j.ijrobp.2023.05.033
Autor:
Andrew T, McNutt, David Ryan, Koes
Publikováno v:
J Chem Inf Model
The lead optimization phase of drug discovery refines an initial hit molecule for desired properties, especially potency. Synthesis and experimental testing of the small perturbations during this refinement can be quite costly and time consuming. Rel
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::6ce6389d86240de9e9e578b98a01608e
https://pubmed.ncbi.nlm.nih.gov/35380443
https://pubmed.ncbi.nlm.nih.gov/35380443
Autor:
Andrew T. McNutt, David Ryan Koes
Publikováno v:
Journal of Chemical Information and Modeling. 62:1819-1829
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::75d872ae6dd794ad8cf2d4d660aa2c65
https://doi.org/10.1021/acs.jcim.1c01497
https://doi.org/10.1021/acs.jcim.1c01497
Akademický článek
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Autor:
Seth Winfree, Andrew T. McNutt, Suraj Khochare, Tyler J. Borgard, Daria Barwinska, Angela R. Sabo, Michael J. Ferkowicz, James C. Williams, James E. Lingeman, Connor J Gulbronson, Katherine J. Kelly, Timothy A. Sutton, Pierre C. Dagher, Michael T. Eadon, Kenneth W. Dunn, Tarek M. El-Achkar
The human kidney is a complex organ with various cell types that are intricately organized to perform key physiological functions and maintain homeostasis. New imaging modalities such as mesoscale and highly multiplexed fluorescence microscopy are in
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3b8c11aa0bdc3ccb70ae8addfd2009f7
https://doi.org/10.1101/2021.12.27.474025
https://doi.org/10.1101/2021.12.27.474025
Autor:
Paul G. Francoeur, Matthew Ragoza, Tomohide Masuda, Jocelyn Sunseri, Rocco Meli, Rishal Aggarwal, David Ryan Koes, Andrew T. McNutt
Publikováno v:
Journal of Cheminformatics
Journal of Cheminformatics, Vol 13, Iss 1, Pp 1-20 (2021)
Journal of Cheminformatics, Vol 13, Iss 1, Pp 1-20 (2021)
Molecular docking computationally predicts the conformation of a small molecule when binding to a receptor. Scoring functions are a vital piece of any molecular docking pipeline as they determine the fitness of sampled poses. Here we describe and eva
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::80508e2e3e124bd3d0bf02c4af1b5366
https://doi.org/10.26434/chemrxiv.13578140.v1
https://doi.org/10.26434/chemrxiv.13578140.v1
Autor:
Tarek M. El-Achkar, Michael T. Eadon, Mohammad Al Hasan, Suraj Khochare, Kenneth W. Dunn, Seth Winfree, Aljohara Fahad Almulhim, Michael J. Ferkowicz, Andrew T. McNutt, Andre Woloshuk, Daria Barwinska, Katherine J. Kelly, Dawson Dean
Publikováno v:
Cytometry A
To understand the physiology and pathology of disease, capturing the heterogeneity of cell types within their tissue environment is fundamental. In such an endeavor, the human kidney presents a formidable challenge because its complex organizational
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1642de280d52bccb1fce4497b5319d71
https://europepmc.org/articles/PMC8382162/
https://europepmc.org/articles/PMC8382162/
Akademický článek
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Akademický článek
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