scholarly journals OSPREY 3.0: Open‐source protein redesign for you, with powerful new features

2018 ◽  
Vol 39 (30) ◽  
pp. 2494-2507 ◽  
Author(s):  
Mark A. Hallen ◽  
Jeffrey W. Martin ◽  
Adegoke Ojewole ◽  
Jonathan D. Jou ◽  
Anna U. Lowegard ◽  
...  
Keyword(s):  
Open Source ◽  
Protein Redesign

scholarly journals OSPREY 3.0: Open-Source Protein Redesign for You, with Powerful New Features

2018 ◽  
Author(s):  
Mark A. Hallen ◽  
Jeffrey W. Martin ◽  
Adegoke Ojewole ◽  
Jonathan D. Jou ◽  
Anna U. Lowegard ◽  
...  
Keyword(s):  
Protein Binding ◽  
Open Source ◽  
Protein Design ◽  
Open Source Software ◽  
Ease Of Use ◽  
Biophysical Modeling ◽  
Order Of Magnitude ◽  
Design Software ◽  
Protein Redesign ◽  
New Algorithms

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.

Open Source

2007 ◽  
Author(s):  
Fadi P. Deek ◽  
James A. M. McHugh
Keyword(s):  
Open Source

Magnifico Classifico (mc) mit Open Source: Entwicklung eines Lernkonzeptes

2004 ◽  
Vol 176 (S 1) ◽  
Author(s):  
M Harth ◽  
St Zangos ◽  
Wo Schwarz ◽  
Oe Gürvit ◽  
Ma Lorenz ◽  
...  
Keyword(s):  
Open Source
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