Zobrazeno 1 - 10
of 22
pro vyhledávání: '"Graham T Holt"'
Autor:
Siyu Wang, Stephanie M Reeve, Graham T Holt, Adegoke A Ojewole, Marcel S Frenkel, Pablo Gainza, Santosh Keshipeddy, Vance G Fowler, Dennis L Wright, Bruce R Donald
Publikováno v:
PLoS Computational Biology, Vol 18, Iss 2, p e1009855 (2022)
Antimicrobial resistance presents a significant health care crisis. The mutation F98Y in Staphylococcus aureus dihydrofolate reductase (SaDHFR) confers resistance to the clinically important antifolate trimethoprim (TMP). Propargyl-linked antifolates
Externí odkaz:
https://doaj.org/article/760112bcadb84e1a84002595002ee2fb
Autor:
Anna U Lowegard, Marcel S Frenkel, Graham T Holt, Jonathan D Jou, Adegoke A Ojewole, Bruce R Donald
Publikováno v:
PLoS Computational Biology, Vol 16, Iss 6, p e1007447 (2020)
The K* algorithm provably approximates partition functions for a set of states (e.g., protein, ligand, and protein-ligand complex) to a user-specified accuracy ε. Often, reaching an ε-approximation for a particular set of partition functions takes
Externí odkaz:
https://doaj.org/article/f824df9242644807b55d5143527212cf
Autor:
Hod Dana, Boaz Mohar, Yi Sun, Sujatha Narayan, Andrew Gordus, Jeremy P Hasseman, Getahun Tsegaye, Graham T Holt, Amy Hu, Deepika Walpita, Ronak Patel, John J Macklin, Cornelia I Bargmann, Misha B Ahrens, Eric R Schreiter, Vivek Jayaraman, Loren L Looger, Karel Svoboda, Douglas S Kim
Publikováno v:
eLife, Vol 5 (2016)
Genetically encoded calcium indicators (GECIs) allow measurement of activity in large populations of neurons and in small neuronal compartments, over times of milliseconds to months. Although GFP-based GECIs are widely used for in vivo neurophysiolog
Externí odkaz:
https://doaj.org/article/ab34ae2c5e2b47b2a8b288f3d69d627e
Autor:
Mark J Henderson, Heather A Baldwin, Christopher A Werley, Stefano Boccardo, Leslie R Whitaker, Xiaokang Yan, Graham T Holt, Eric R Schreiter, Loren L Looger, Adam E Cohen, Douglas S Kim, Brandon K Harvey
Publikováno v:
PLoS ONE, Vol 10, Iss 10, p e0139273 (2015)
Endoplasmic reticulum calcium homeostasis is critical for cellular functions and is disrupted in diverse pathologies including neurodegeneration and cardiovascular disease. Owing to the high concentration of calcium within the ER, studying this subce
Externí odkaz:
https://doaj.org/article/161ea35e86594287bc3d469f5096851a
Publikováno v:
Journal of Computational Biology. 27:550-564
Protein design algorithms that model continuous sidechain flexibility and conformational ensembles better approximate the in vitro and in vivo behavior of proteins. The previous state of the art, iMinDEE-\(A^*\)-\(K^*\), computes provable \(\varepsil
Autor:
Dean R. Madden, Jeffrey W. Martin, Anna U. Lowegard, Graham T. Holt, Bruce R. Donald, Nicholas P. Gill, Jonathan D. Jou
Publikováno v:
The Journal of Physical Chemistry B. 123:10441-10455
PDZ domains are small protein-binding domains that interact with short, mostly C-terminal peptides and play important roles in cellular signaling and the trafficking and localization of ion channels. The CFTR-associated ligand PDZ domain (CALP) binds
Autor:
Siyu Wang, Sherry S Agabiti, Dennis L. Wright, Marcel S. Frenkel, Nathan D. Gibson, Nigel D. Priestley, Debjani Si, Stephanie M. Reeve, Yongzhao Yan, Bruce R. Donald, Andrew J. Wiemer, Alexavier Estrada, Jolanta Krucinska, Kishore Viswanathan, Graham T. Holt, Adegoke Ojewole, Jeremy B. Alverson
Publikováno v:
BASE-Bielefeld Academic Search Engine
The spread of plasmid borne resistance enzymes in clinical Staphylococcus aureus isolates is rendering trimethoprim and iclaprim, both inhibitors of dihydrofolate reductase (DHFR), ineffective. Continued exploitation of these targets will require com
Autor:
Santosh Keshipeddy, Siyu Wang, Marcel S. Frenkel, Pablo Gainza, Stephanie M. Reeve, Adegoke Ojewole, Graham T. Holt, Vance G. Fowler, Dennis L. Wright, Bruce R. Donald
Antimicrobial resistance is a health care crisis. The resistance-conferring mutation F98Y inStaphylococcus aureusdihydrofolate reductase (SaDHFR) reduces effectiveness of antifolates, e.g., trimethoprim (TMP). Although propargyl-linked antifolates (P
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5eaefcfbfc329a625495103738894abf
https://doi.org/10.1101/2020.07.28.224667
https://doi.org/10.1101/2020.07.28.224667
Autor:
Anna U. Lowegard, Adegoke Ojewole, Jeffrey W. Martin, Siyu Wang, Jonathan D. Jou, Elizabeth Dowd, Bruce R. Donald, Graham T. Holt, Marcel S. Frenkel, Pablo Gainza, Aditya Mukund, David Zhou, Mark A. Hallen, Hunter M. Nisonoff
Publikováno v:
Journal of Computational Chemistry. 39:2494-2507
We present osprey 3.0, a new and greatly improved release of the osprey protein design software. Osprey 3.0 features a convenient new Python interface, which greatly improves its ease of use. It is over two orders of magnitude faster than previous ve
Publikováno v:
J Comput Biol
Protein design algorithms that model continuous sidechain flexibility and conformational ensembles better approximate the in vitro and in vivo behavior of proteins. The previous state of the art, iMinDEE-A*-K*, computes provable ɛ-approximations to