|
|
|
|
| LEADER |
01000caa a22002652 4500 |
| 001 |
NLM29002837X |
| 003 |
DE-627 |
| 005 |
20240714232213.0 |
| 007 |
cr uuu---uuuuu |
| 008 |
231225s2018 xx |||||o 00| ||eng c |
| 024 |
7 |
|
|a 10.1002/jcc.25522
|2 doi
|
| 028 |
5 |
2 |
|a pubmed24n1470.xml
|
| 035 |
|
|
|a (DE-627)NLM29002837X
|
| 035 |
|
|
|a (NLM)30368845
|
| 040 |
|
|
|a DE-627
|b ger
|c DE-627
|e rakwb
|
| 041 |
|
|
|a eng
|
| 100 |
1 |
|
|a Hallen, Mark A
|e verfasserin
|4 aut
|
| 245 |
1 |
0 |
|a OSPREY 3.0
|b Open-source protein redesign for you, with powerful new features
|
| 264 |
|
1 |
|c 2018
|
| 336 |
|
|
|a Text
|b txt
|2 rdacontent
|
| 337 |
|
|
|a ƒaComputermedien
|b c
|2 rdamedia
|
| 338 |
|
|
|a ƒa Online-Ressource
|b cr
|2 rdacarrier
|
| 500 |
|
|
|a Date Completed 18.09.2019
|
| 500 |
|
|
|a Date Revised 14.07.2024
|
| 500 |
|
|
|a published: Print-Electronic
|
| 500 |
|
|
|a Citation Status MEDLINE
|
| 520 |
|
|
|a © 2018 Wiley Periodicals, Inc.
|
| 520 |
|
|
|a 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 versions of osprey when running the same algorithms on the same hardware. Moreover, osprey 3.0 includes several new algorithms, which introduce substantial speedups as well as improved biophysical modeling. It also includes GPU support, which provides an additional speedup of over an order of magnitude. Like previous versions of osprey, osprey 3.0 offers a unique package of advantages over other design software, including provable design algorithms that account for continuous flexibility during design and model conformational entropy. Finally, we show here empirically that osprey 3.0 accurately predicts the effect of mutations on protein-protein binding. Osprey 3.0 is available at http://www.cs.duke.edu/donaldlab/osprey.php as free and open-source software. © 2018 Wiley Periodicals, Inc
|
| 650 |
|
4 |
|a Journal Article
|
| 650 |
|
4 |
|a Research Support, N.I.H., Extramural
|
| 650 |
|
4 |
|a Research Support, Non-U.S. Gov't
|
| 650 |
|
4 |
|a Research Support, U.S. Gov't, Non-P.H.S.
|
| 650 |
|
4 |
|a GPU
|
| 650 |
|
4 |
|a Python
|
| 650 |
|
4 |
|a drug design
|
| 650 |
|
4 |
|a protein design
|
| 650 |
|
4 |
|a structural biology
|
| 650 |
|
7 |
|a Proteins
|2 NLM
|
| 700 |
1 |
|
|a Martin, Jeffrey W
|e verfasserin
|4 aut
|
| 700 |
1 |
|
|a Ojewole, Adegoke
|e verfasserin
|4 aut
|
| 700 |
1 |
|
|a Jou, Jonathan D
|e verfasserin
|4 aut
|
| 700 |
1 |
|
|a Lowegard, Anna U
|e verfasserin
|4 aut
|
| 700 |
1 |
|
|a Frenkel, Marcel S
|e verfasserin
|4 aut
|
| 700 |
1 |
|
|a Gainza, Pablo
|e verfasserin
|4 aut
|
| 700 |
1 |
|
|a Nisonoff, Hunter M
|e verfasserin
|4 aut
|
| 700 |
1 |
|
|a Mukund, Aditya
|e verfasserin
|4 aut
|
| 700 |
1 |
|
|a Wang, Siyu
|e verfasserin
|4 aut
|
| 700 |
1 |
|
|a Holt, Graham T
|e verfasserin
|4 aut
|
| 700 |
1 |
|
|a Zhou, David
|e verfasserin
|4 aut
|
| 700 |
1 |
|
|a Dowd, Elizabeth
|e verfasserin
|4 aut
|
| 700 |
1 |
|
|a Donald, Bruce R
|e verfasserin
|4 aut
|
| 773 |
0 |
8 |
|i Enthalten in
|t Journal of computational chemistry
|d 1984
|g 39(2018), 30 vom: 15. Nov., Seite 2494-2507
|w (DE-627)NLM098138448
|x 1096-987X
|7 nnns
|
| 773 |
1 |
8 |
|g volume:39
|g year:2018
|g number:30
|g day:15
|g month:11
|g pages:2494-2507
|
| 856 |
4 |
0 |
|u http://dx.doi.org/10.1002/jcc.25522
|3 Volltext
|
| 912 |
|
|
|a GBV_USEFLAG_A
|
| 912 |
|
|
|a SYSFLAG_A
|
| 912 |
|
|
|a GBV_NLM
|
| 912 |
|
|
|a GBV_ILN_350
|
| 951 |
|
|
|a AR
|
| 952 |
|
|
|d 39
|j 2018
|e 30
|b 15
|c 11
|h 2494-2507
|