Zobrazeno 1 - 10
of 59
pro vyhledávání: '"Kyle A Beauchamp"'
Autor:
Shi Chen, Rafal P Wiewiora, Fanwang Meng, Nicolas Babault, Anqi Ma, Wenyu Yu, Kun Qian, Hao Hu, Hua Zou, Junyi Wang, Shijie Fan, Gil Blum, Fabio Pittella-Silva, Kyle A Beauchamp, Wolfram Tempel, Hualiang Jiang, Kaixian Chen, Robert J Skene, Yujun George Zheng, Peter J Brown, Jian Jin, Cheng Luo, John D Chodera, Minkui Luo
Publikováno v:
eLife, Vol 8 (2019)
Elucidating the conformational heterogeneity of proteins is essential for understanding protein function and developing exogenous ligands. With the rapid development of experimental and computational methods, it is of great interest to integrate thes
Externí odkaz:
https://doaj.org/article/a6d43dbd70b84f88920fbdbf903ea4a3
Autor:
Peter Eastman, Jason Swails, John D Chodera, Robert T McGibbon, Yutong Zhao, Kyle A Beauchamp, Lee-Ping Wang, Andrew C Simmonett, Matthew P Harrigan, Chaya D Stern, Rafal P Wiewiora, Bernard R Brooks, Vijay S Pande
Publikováno v:
PLoS Computational Biology, Vol 13, Iss 7, p e1005659 (2017)
OpenMM is a molecular dynamics simulation toolkit with a unique focus on extensibility. It allows users to easily add new features, including forces with novel functional forms, new integration algorithms, and new simulation protocols. Those features
Externí odkaz:
https://doaj.org/article/a3c536fb0ab14c8bbc0cb33e5bac84f0
Publikováno v:
PLoS Computational Biology, Vol 12, Iss 6, p e1004728 (2016)
The rapidly expanding body of available genomic and protein structural data provides a rich resource for understanding protein dynamics with biomolecular simulation. While computational infrastructure has grown rapidly, simulations on an omics scale
Externí odkaz:
https://doaj.org/article/1d4468ca5d504ba5be138b024546bfc0
Autor:
Elle C. Moore, Gerard C. Blobe, Nicholas C. DeVito, Brent A. Hanks, Michael R. Harrison, Christopher J. Hoimes, Jingquan Jia, Michael A. Morse, Parvathy Jayaprakasan, Andrew MacKelfresh, Hillary Mulder, Adam J. Hockenberry, Alia Zander, Martin C. Stumpe, Jackson Michuda, Kyle A. Beauchamp, Eric Perakslis, Timothy Taxter, Daniel J. George
Publikováno v:
Cancer Medicine, Vol 12, Iss 19, Pp 19394-19405 (2023)
Abstract Background Roughly 5% of metastatic cancers present with uncertain origin, for which molecular classification could influence subsequent management; however, prior studies of molecular diagnostic classifiers have reported mixed results with
Externí odkaz:
https://doaj.org/article/b59390dd42bb4274953a6323c81735b6
Autor:
Jackson Michuda, Alessandra Breschi, Joshuah Kapilivsky, Kabir Manghnani, Calvin McCarter, Adam J. Hockenberry, Brittany Mineo, Catherine Igartua, Joel T. Dudley, Martin C. Stumpe, Nike Beaubier, Maryam Shirazi, Ryan Jones, Elizabeth Morency, Kim Blackwell, Justin Guinney, Kyle A. Beauchamp, Timothy Taxter
Publikováno v:
Molecular Diagnosis & Therapy.
Cancers assume a variety of distinct histologies and may originate from a myriad of sites including solid organs, hematopoietic cells, and connective tissue. Clinical decision making based on consensus guidelines such as NCCN is often predicated on a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::84ac871f10589c2aabf83648ec11c11f
https://doi.org/10.1007/s40291-023-00650-5
https://doi.org/10.1007/s40291-023-00650-5
Autor:
Alia Zander, Caroline Epstein, Kabir Manghnani, Ben Terdich, Sun Hae Hong, Justin Guinney, Halla Nimeiri, Martin Stumpe, Timothy Taxter, Kyle A. Beauchamp
Publikováno v:
Cancer Research. 82:A003-A003
Background: Colorectal liver oligometastases (CLO) represents a subset of metastatic colorectal cancer (mCRC) patients who may be eligible to undergo curative intent resection which can improve survival. However, given the heterogeneity of this popul
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5bfff6e696164dea0dd7e5cba2ee323f
https://doi.org/10.1158/1538-7445.crc22-a003
https://doi.org/10.1158/1538-7445.crc22-a003
Autor:
Gabriel A. Lazarin, Aishwarya Arjunan, Kyle A. Beauchamp, James D. Goldberg, Katherine Johansen Taber, Dale Muzzey
Publikováno v:
Genetics in Medicine
Purpose: Expanded carrier screening (ECS) informs couples of their risk of having offspring affected by certain genetic conditions. Limited data exists assessing the actions and reproductive outcomes of at-risk couples (ARCs). We describe the impact
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e6d5df862acb77299e211fd59c080c17
https://doi.org/10.1038/s41436-018-0321-0
https://doi.org/10.1038/s41436-018-0321-0
Autor:
Joshuah Kapilivsky, Kimmo J. Hatanpaa, Kabir Manghnani, Timothy J. Taxter, Martin Stumpe, Justin Guinney, Kyle A. Beauchamp, Robin Arthur Buerki, Alessandra Breschi
Publikováno v:
Journal of Clinical Oncology. 40:2018-2018
2018 Background: In 2021, the WHO revised its classification of central nervous system tumors (WHO CNS5) around IDH status and inclusion of key somatic alterations in addition to histopathological traits. While providing a more specific classificatio
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c05151a9e4076c4b0f3a3513daeaa919
https://doi.org/10.1200/jco.2022.40.16_suppl.2018
https://doi.org/10.1200/jco.2022.40.16_suppl.2018
Autor:
John D. Chodera, Victoria T. Lim, Caitlin C. Bannan, Andrea Rizzi, Kyle A. Beauchamp, Christopher I. Bayly, Nathan M. Lim, Michael R. Shirts, Peter Eastman, David L. Mobley, David R. Slochower, Michael K. Gilson
Publikováno v:
Journal of chemical theory and computation, vol 14, iss 11
Traditional approaches to specifying a molecular mechanics force field encode all the information needed to assign force field parameters to a given molecule into a discrete set of atom types. This is equivalent to a representation consisting of a mo
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f975f4ecbc88994a0585c89e73295a17
https://doi.org/10.1021/acs.jctc.8b00640
https://doi.org/10.1021/acs.jctc.8b00640
Autor:
Robert T. McGibbon, Carlos X. Hernández, Brooke E. Husic, Christian R. Schwantes, Peter Eastman, Vijay S. Pande, Mohammad M. Sultan, Matthew P. Harrigan, Kyle A. Beauchamp
Publikováno v:
Biophysical Journal. 112:10-15
MSMBuilder is a software package for building statistical models of high-dimensional time-series data. It is designed with a particular focus on the analysis of atomistic simulations of biomolecular dynamics such as protein folding and conformational
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::38de2295b97584697bf9b32f6b3434fd
https://doi.org/10.1016/j.bpj.2016.10.042
https://doi.org/10.1016/j.bpj.2016.10.042