puzzle picture
[DEVPREV] Coronavirus Binder Design with Binder Objectives
Status: Closed

Summary

Name: [DEVPREV] Coronavirus Binder Design with Binder Objectives
Status: Closed
Created: 08/07/2020
Points: 0
Expired: 08/13/2020 - 23:00
Difficulty: Intermediate
Description: This is a clone of Puzzle 1874, with the addition of three new objectives for the DDG, SASA, and Shape Complementarity of your designed binder. Note that these objectives are VERY slow to compute, and we recommend disabling these filters and running them manually. (In a future update, these objectives may run in the background automatically.) The new objectives do not award any bonus, and players may load solutions from the original Puzzle 1874 (but unfortunately you cannot share them back to the original puzzle).
Categories:

Top Groups

RankGroupScorePoints
1Go Science14,8110
2Beta Folders14,5500

Top Evolvers

RankPlayerGroupScorePoints
1Dudit 25 67 Go Science14,8110

Top Soloists

RankPlayerGroupScorePoints
1malphis 99 11  14,6960
2LociOiling 8 1 Beta Folders14,5500
3Dudit 25 67 Go Science14,3550
4diamonddays 99 651  00


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bkoep's picture
User offline. Last seen 18 hours 59 min ago. Offline
Joined: 11/15/2012
Groups: Foldit Staff
Objectives

Binder DDG
The binding energy of your design to the target. The target DDG is -40.0 or less.

Binder SASA
The solvent-accessible surface area that is lost upon binding. The target SASA is 1500 or more.

Binder Shape Complementarity
Measures how well your binder fits the contours of the target surface. The target Shape Complementarity is 0.60 or more.

Buried Unsats (max +20)
Penalizes 60 points for each polar atom that cannot make any hydrogen bonds. Note that the frozen target includes 8 buried unsats that may be impossible for players to satisfy.

Residue Count (max +275)
Penalizes extra residues inserted beyond the 177, at a cost of 55 points per residue. Players may use up to 182 residues in total.

Core Existence (max +2400)
Ensures that at least 25 percent of residues are buried in the core of the monomer unit.

Ideal Loops (max +500)
Penalizes any loop region that does not match one of the Building Blocks in the Blueprint tool. Use "Auto Structures" to see which regions of your protein count as loops.

SS Design (max +500)
Penalizes all CYS residues. Penalizes GLY, ALA residues in sheets. Penalizes GLY, ALA, SER, THR in helices.

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Developed by: UW Center for Game Science, UW Institute for Protein Design, Northeastern University, Vanderbilt University Meiler Lab, UC Davis
Supported by: DARPA, NSF, NIH, HHMI, Amazon, Microsoft, Adobe, RosettaCommons