Zobrazeno 1 - 10
of 22
pro vyhledávání: '"Justin T. Seffernick"'
Publikováno v:
Nature Communications, Vol 13, Iss 1, Pp 1-9 (2022)
Covalent labeling (CL) from mass spectrometry experiments provides structural information of higher-order protein structure. Here, the authors develop an algorithm which integrates experimental CL data to predict protein complexes in the Rosetta mole
Externí odkaz:
https://doaj.org/article/03e86cae3ea84899814079fcfd34f7b1
Autor:
SM Bargeen Alam Turzo, Justin T. Seffernick, Amber D. Rolland, Micah T. Donor, Sten Heinze, James S. Prell, Vicki H. Wysocki, Steffen Lindert
Publikováno v:
Nature Communications, Vol 13, Iss 1, Pp 1-15 (2022)
Collision cross sections (CCS) from ion mobility mass spectrometry provide information about protein shape and size. Here, the authors develop an algorithm to predict CCS and integrate experimental ion mobility data into Rosetta-based molecular model
Externí odkaz:
https://doaj.org/article/303314d1bc3e4445821c95a69c584e9a
Publikováno v:
ACS Central Science, Vol 5, Iss 8, Pp 1330-1341 (2019)
Externí odkaz:
https://doaj.org/article/080b668e5c164794a741995f76801e1a
Publikováno v:
The Journal of Physical Chemistry B. 126:8439-8446
The combination of deep learning and sequence data has transformed protein structure prediction and modeling, evidenced in the success of AlphaFold (AF). For this reason, many methods have been developed to take advantage of this success in areas whe
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2ee3fa8f215a61bd41a2dc3ae979c388
https://doi.org/10.1021/acs.jpcb.2c05508
https://doi.org/10.1021/acs.jpcb.2c05508
Autor:
Justin T. Seffernick, SM Bargeen Alam Turzo, Sophie R. Harvey, Yongseok Kim, Árpád Somogyi, Shir Marciano, Vicki H. Wysocki, Steffen Lindert
Publikováno v:
Analytical chemistry. 94(29)
Understanding the relationship between protein structure and experimental data is crucial for utilizing experiments to solve biochemical problems and optimizing the use of sparse experimental data for structural interpretation. Tandem mass spectromet
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a95b2b1d650815ce36d6991b85f96604
https://pubmed.ncbi.nlm.nih.gov/35834801
https://pubmed.ncbi.nlm.nih.gov/35834801
Autor:
Linsen Li, Steffen Lindert, Yanran Lu, Anna Chen, Jason E. Cummings, Chelsea A Mann, Sandip Vibhute, Brieanna Roth, Anthony English, Sheri Nolan, Mark J. Mitton-Fry, Daniel J. Wozniak, Steven C Ratigan, Richard A. Slayden, Jack C. Yalowich, Bryan Koci, Antony A. Okumu, Jonathan L. Papa, Craig A. McElroy, Justin T Seffernick, Leonard R Duncan
Publikováno v:
Journal of Medicinal Chemistry. 64:15214-15249
Novel bacterial topoisomerase inhibitors (NBTIs) are among the most promising new antibiotics in preclinical/clinical development. We previously reported dioxane-linked NBTIs with potent antistaphylococcal activity and reduced hERG inhibition, a key
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b3892c880ddb3b3758eba4c921a02b47
https://doi.org/10.1021/acs.jmedchem.1c01250
https://doi.org/10.1021/acs.jmedchem.1c01250
Autor:
James S. Prell, Vicki H. Wysocki, Heinze S, Micah T. Donor, Steffen Lindert, Amber D. Rolland, Justin T Seffernick, Turzo Sba
Publikováno v:
Nature Communications. 13
Among a wide variety of mass spectrometry (MS) methodologies available for structural characterizations of proteins, ion mobility (IM) provides structural information about protein shape and size in the form of an orientationally averaged collision c
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::75df12c7a73f0753d7fc17af79861580
https://doi.org/10.1038/s41467-022-32075-9
https://doi.org/10.1038/s41467-022-32075-9
Publikováno v:
Journal of Chemical Theory and Computation. 17:2619-2629
Amide hydrogen-deuterium exchange (HDX) has long been used to determine regional flexibility and binding sites in proteins; however, the data are too sparse for full structural characterization. Experiments that measure HDX rates, such as HDX-NMR, ha
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::fe132e4d78cbff915d234acb3eaa4f02
https://doi.org/10.1021/acs.jctc.1c00077
https://doi.org/10.1021/acs.jctc.1c00077
Autor:
Josh Powell, Justin T Seffernick, Jonathan L. Papa, Daniel J. Wozniak, Jack C. Yalowich, Sheri Nolan, Mark J. Mitton-Fry, Yanran Lu, Nicholas Shkolnikov, Steffen Lindert, Anthony English
Publikováno v:
ACS Medicinal Chemistry Letters. 11:2446-2454
In recent years, novel bacterial topoisomerase inhibitors (NBTIs) have been developed as future antibacterials for treating multidrug-resistant bacterial infections. A series of dioxane-linked NBTIs with an amide moiety has been synthesized and evalu
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7f8cd7c2746ada046397671d884e9eca
https://doi.org/10.1021/acsmedchemlett.0c00428
https://doi.org/10.1021/acsmedchemlett.0c00428
Autor:
Yanran, Lu, Sandip, Vibhute, Linsen, Li, Antony, Okumu, Steven C, Ratigan, Sheri, Nolan, Jonathan L, Papa, Chelsea A, Mann, Anthony, English, Anna, Chen, Justin T, Seffernick, Bryan, Koci, Leonard R, Duncan, Brieanna, Roth, Jason E, Cummings, Richard A, Slayden, Steffen, Lindert, Craig A, McElroy, Daniel J, Wozniak, Jack, Yalowich, Mark J, Mitton-Fry
Publikováno v:
Journal of medicinal chemistry. 64(20)
Novel bacterial topoisomerase inhibitors (NBTIs) are among the most promising new antibiotics in preclinical/clinical development. We previously reported dioxane-linked NBTIs with potent antistaphylococcal activity and reduced hERG inhibition, a key
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::dc8f7442e2cb53241c3d17ad1ee5eb4c
https://pubmed.ncbi.nlm.nih.gov/34614347
https://pubmed.ncbi.nlm.nih.gov/34614347