Search found 9 matches

by tjdean2
Thu Apr 11, 2024 2:44 pm
Forum: Announcements - Folding Consortium
Topic: Projects 1923[1-4] on FAH (GPU,OPENMM22)
Replies: 0
Views: 8064

Projects 1923[1-4] on FAH (GPU,OPENMM22)

Projects 19231-19234 on FAH! The projects involves a study on the effects of point mutations on key residue-interactions involved in hormone receptor signalling on a model receptor system. The project goal is to better understand how these point mutations lead to downstream changes in the regulation...
by tjdean2
Thu Dec 07, 2023 9:43 pm
Forum: Announcements - Folding Consortium
Topic: Projects 19227-19230 on FAH (CPU,A8)
Replies: 0
Views: 47034

Projects 19227-19230 on FAH (CPU,A8)

Projects 192[27-30] now on FAH! The projects involves Relative Binding Free Energy (RBFE) calculations of several common groups (anilide, aniline, indole, phenol, pyrrole, and thiazole) derivatives to the tryptophan 6-halogenase Thal, tryptohphan 7-halogenase PrnA, and tryptophan 5-halogenase PyrH. ...
by tjdean2
Mon Apr 10, 2023 9:17 pm
Forum: Announcements - Folding Consortium
Topic: [GPU, Core22] Projects p1922[5-6] now on FAH
Replies: 0
Views: 47927

[GPU, Core22] Projects p1922[5-6] now on FAH

Projects 1922[5-6] on FAH! The Projects involve simulations of NarU, a nitrate/nitrite transporter of the nitrate-nitrite porter (NNP) family in the Major Facilitator superfamily (MFS) of membrane transporters that is found in bacteria and involved in nitrate uptake during severe nutrient starvation...
by tjdean2
Mon Feb 20, 2023 3:25 pm
Forum: Announcements - Folding Consortium
Topic: [CPU, GRO_A8] Project p19221 on FAH
Replies: 0
Views: 16667

[CPU, GRO_A8] Project p19221 on FAH

Project 19221 on FAH! The project involves Relative Binding Free Energy (RBFE) calculations of several common groups (anilide, aniline, indole, phenol, pyrrole, and thiazole) derivatives to the tryptophan 6-halogenase Thal; part of an enzyme group that may allow for improved regioselectivity of halo...
by tjdean2
Fri Dec 02, 2022 9:47 pm
Forum: Announcements - Folding Consortium
Topic: [GPU, Core22] Projects p19217-19218
Replies: 0
Views: 3664

[GPU, Core22] Projects p19217-19218

p19217: <timeout v="1"/> <deadline v="2"/> <atoms v="84484"/> <stats-credit v="14463"/> P19218: <timeout v="1"/> <deadline v="2"/> <atoms v="84469"/> <stats-credit v="14463"/> Shared Project Description: https://stats.fo...
by tjdean2
Tue Nov 01, 2022 9:33 pm
Forum: Announcements - Folding Consortium
Topic: [GPU, Core22] Project p19216 to FAH
Replies: 0
Views: 3355

[GPU, Core22] Project p19216 to FAH

p19216:
<timeout v="1"/>
<deadline v="2"/>
<atoms v="84576"/>
<stats-credit v="11633"/>

Project Description: https://stats.foldingathome.org/project/19216
by tjdean2
Wed Jul 20, 2022 7:36 pm
Forum: Announcements - Folding Consortium
Topic: [CPU, GRO_A8] Projects p19204-19215
Replies: 0
Views: 3550

[CPU, GRO_A8] Projects p19204-19215

All projects: <timeout v=”1”/> <deadline v=”2”/> p19204: <stats-credit v=”9884”/>, <atoms v=”4834”/> p19205: <stats-credit v=”7849”/>, <atoms v=”92799”/> p19206: <stats-credit v=”7793”/>, <atoms v=”3298”/> p19207: <stats-credit v=”9208”/>, <atoms v=”92779”/> p19208: <stats-credit v=”9510”/>, <atoms ...
by tjdean2
Tue May 03, 2022 8:29 pm
Forum: Announcements - Folding Consortium
Topic: [CPU, GRO_A8] Projects p19201, p19203
Replies: 0
Views: 2670

[CPU, GRO_A8] Projects p19201, p19203

All projects:
<timeout v=”4”/>
<deadline v=”4.2”/>

P19201: <stats-credit v=”8338”/> , <atoms v=”3923”/>
p19203: <stats-credit v=”6798”/> , <atoms v=”92697”/>

Shared project description:
https://stats.foldingathome.org/project?p=19203
by tjdean2
Mon Apr 18, 2022 3:49 pm
Forum: Announcements - Folding Consortium
Topic: [GPU, Core22] Project p19200
Replies: 0
Views: 2391

[GPU, Core22] Project p19200

p19200:
<timeout v="1"/>
<deadline v="2"/>
<atoms v="84576"/>
<stats-credit v="11700"/>

Project Description: https://stats.foldingathome.org/project/19200