Zobrazeno 1 - 10
of 36
pro vyhledávání: '"Spencer S Ericksen"'
Autor:
Huikun Zhang, Spencer S Ericksen, Ching-Pei Lee, Gene E Ananiev, Nathan Wlodarchak, Peng Yu, Julie C Mitchell, Anthony Gitter, Stephen J Wright, F Michael Hoffmann, Scott A Wildman, Michael A Newton
Publikováno v:
PLoS Computational Biology, Vol 15, Iss 8, p e1006813 (2019)
Prediction of compounds that are active against a desired biological target is a common step in drug discovery efforts. Virtual screening methods seek some active-enriched fraction of a library for experimental testing. Where data are too scarce to t
Externí odkaz:
https://doaj.org/article/4a4d5ae099294f29b49940194c4bd237
Autor:
Sejal Sharma, Liping Feng, Nicha Boonpattrawong, Arvinder Kapur, Lisa Barroilhet, Manish S. Patankar, Spencer S. Ericksen
Publikováno v:
Journal of Cheminformatics, Vol 16, Iss 1, Pp 1-21 (2024)
Abstract Focused screening on target-prioritized compound sets can be an efficient alternative to high throughput screening (HTS). For most biomolecular targets, compound prioritization models depend on prior screening data or a target structure. For
Externí odkaz:
https://doaj.org/article/917f8e3cc1944718acb1f5328cb44ee3
Autor:
Nicolas J. Wheeler, Kaetlyn T. Ryan, Kendra J. Gallo, Clair R. Henthorn, Spencer S. Ericksen, John D. Chan, Mostafa Zamanian
Publikováno v:
Communications Biology, Vol 6, Iss 1, Pp 1-15 (2023)
A comprehensive optimization of phenotypic and computational screening strategy for antifilarial drug and target discovery identifies compounds with stage, species, and/or sex-specific activity, some with submicromolar potency.
Externí odkaz:
https://doaj.org/article/e20e8dd06f8e4b2791b2b832fe167b4f
Autor:
Sejal T. Sharma, Liping Feng, Nicha Boonpattrawong, Lisa M. Barroilhet, Manish Patankar, Spencer S. Ericksen
Publikováno v:
Cancer Research. 83:5341-5341
High Grade Serous Ovarian Cancer (HGSOC) is a fatal disease that is typically detected at an advanced stage when there are limited modalities for effective treatment. Treatment efficacy against cancer is dependent on tumor metabolism and its adaptati
Proteolysis targeting chimeras (PROTACs) are bifunctional molecules that can induce the ubiquitination of targeted proteins via the formation of ternary complexes between an E3 ubiquitin ligase and a target protein. The poly-ubiquitinated target prot
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7f4316b8afe9719be3d27f2fba190f47
https://doi.org/10.26434/chemrxiv-2021-ldzzz-v2
https://doi.org/10.26434/chemrxiv-2021-ldzzz-v2
Autor:
Moayad Alnammi, Shengchao Liu, Spencer S Ericksen, Gene E Ananiev, Andrew F Voter, Song Guo, James L Keck, F Michael Hoffmann, Scott A Wildman, Anthony Gitter
Traditional small molecule drug discovery is a time consuming and costly endeavor. High-throughput chemical screening can only assess a tiny fraction of drug-like chemical space. The strong predictive power of modern machine learning methods for virt
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4f2352b2cfcf6f7af1f590e44b5ddfb8
https://doi.org/10.26434/chemrxiv-2021-fg8z9
https://doi.org/10.26434/chemrxiv-2021-fg8z9
Autor:
James L. Keck, Song Guo, Shengchao Liu, Gene E. Ananiev, Andrew F. Voter, Scott A. Wildman, Anthony Gitter, Moayad Alnammi, Spencer S. Ericksen, F. Michael Hoffmann
Traditional small molecule drug discovery is a time consuming and costly endeavor. High-throughput chemical screening can only assess a tiny fraction of drug-like chemical space. The strong predictive power of modern machine learning methods for virt
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a75bfeb4b5469adcfa7a4753e764c34d
https://doi.org/10.33774/chemrxiv-2021-fg8z9
https://doi.org/10.33774/chemrxiv-2021-fg8z9
Autor:
Arvinder Kapur, Pooja Mehta, Aaron D Simmons, Spencer S. Ericksen, Geeta Mehta, Sean P. Palecek, Mildred Felder, Zach Stenerson, Amruta Nayak, Jose Maria Ayuso Dominguez, Manish Patankar, Lisa M. Barroilhet
Publikováno v:
Cancers; Volume 14; Issue 9; Pages: 2297
Oxidative phosphorylation is an active metabolic pathway in cancer. Atovaquone is an oral medication that inhibits oxidative phosphorylation and is FDA-approved for the treatment of malaria. We investigated its potential anti-cancer properties by mea
Autor:
James L. Keck, Andrew F. Voter, Spencer S. Ericksen, Gene E. Ananiev, Anthony Gitter, Shengchao Liu, Scott A. Wildman, F. Michael Hoffmann, Moayad Alnammi
Publikováno v:
Journal of Chemical Information and Modeling
Virtual (computational) high-throughput screening provides a strategy for prioritizing compounds for experimental screens, but the choice of virtual screening algorithm depends on the data set and evaluation strategy. We consider a wide range of liga
Autor:
Jeff S. Piotrowski, Weiping Tang, Justin Nelson, Hiram Sanchez, Fan Zhang, Marc G. Chevrette, Spencer S. Ericksen, Tim S. Bugni, Gene E. Ananiev, Cameron R. Currie, Jen Fossen, David R. Andes, Le Guo, Kenneth J. Barns, Changgui Zhao, Miao Zhao, Ilia A. Guzei, Anjon Audhya, Shaurya Chanana, Scott R. Rajski, Jian Peng, Doug R. Braun
Publikováno v:
Science
Prospecting for antifungal molecules Marine bacteria produce a plethora of natural products that often have unusual chemical structures and corresponding reactivity, which sometimes translate into a valuable biological function. Zhang et al. used a m