Project 14320 (GPU, OpenMM21) to FAH

Any announcements about FAH policy, servers and new projects will be made here.

Moderators: Site Moderators, FAHC Science Team

Project 14320 (GPU, OpenMM21) to FAH

Postby sizhang » Mon Jan 06, 2020 11:13 pm

Releasing new OpenMM21 projects to FAH

These simulations are designed to test our understanding the folding mechanism of alpha-helical hairpins. We are trying to study how disulfide cross-linkers and sequence variants affect the folding thermodynamics and kinetics of these proteins, to learn how we might better use molecular simulation methods to design effective protein binder scaffolds, for use as "affibody" cancer therapeutics, for example.

project number: 14320
stats credit: 38000
timeout: 5
deadlin: 7
k-factor =0.75
number of atoms: 13231
sizhang
Scientist
 
Posts: 65
Joined: Thu Oct 18, 2018 2:44 pm

Return to Announcements - Pande Group

Who is online

Users browsing this forum: No registered users and 1 guest

cron