Affinity Groups

Logo Name Description Tags Join
ACCESS Allocations The ACCESS Allocations affinity group is available to chat and answer your questions about allocations policies and procedures. We are also always happy to receive feedback and suggestions from the… access-allocations Login to join

Announcements

Upcoming Events & Trainings

No events or trainings are currently scheduled.

Topics from Ask.CI

Loading topics from Ask.CI ...

Knowledge Base Resources

There are no KB Resources associated with this topic. View all CI Links.

Engagements

Modelling conformational heterogeneity for human glutamine synthetase variants
San Francisco State University

Hi!

I want to use EMMIVox molecular dynamics based ensemble refinement to model into multiple cryoEM maps that my lab has generated. I am a collaborator of Max Bonomi (PI behind EMMIVox) but also want to be able to do this independently. We have pre-processed single-refinement models but need multiple GPUs to run the ensemble refinement. I am new to NSF ACCESS and also new to ensemble refinement/molecular dynamics in general. Specifically, I need help to:

  • Allocate Resources (which is best/how much is needed)
  • Software Installation (plumed dependencies and the software in the github link)
  • Job running/management 

I am running this part of the project myself and have not staffed this project yet with a student; so a mentor would be working directly with me. I would like assistance to run this procedure through at least once so that I can reach independence and start training my students to implement it.

Thank you so much in advance for any help and considering whether the MATCH+ program would be suitable for this project. 

All the best,

Eric

Status: Recruiting

People with Expertise

Timothy Middelkoop

Internet2

Programs

ACCESS CSSN, Campus Champions, CCMNet, Great Plains

Roles

mentor, regional facilitator, researcher/educator, research computing facilitator, CCMNet

Timothy Middelkoop (white male with short dark hair and glasses, he/him,his)

Expertise

Widodo Samyono

Jarvis Christian College

Programs

Campus Champions, CCMNet

Roles

researcher/educator, research computing facilitator, CCMNet

Widodo Samyono, PhD in Computational and Applied Mathematics

Expertise

Rebecca Belshe

Arizona State University

Programs

Campus Champions, CCMNet

Roles

research computing facilitator, CCMNet

Placeholder headshot

Expertise

People with Interest

Matthew Chung

University of California, Riverside

Programs

ACCESS CSSN, CCMNet

Roles

student-facilitator, cssn, CCMNet

Placeholder headshot

Interests

Matt Ferguson

Boise State University

Programs

At-Large

Roles

researcher/educator, cssn

picture of Matt Ferguson

Interests

Programs

CCMNet

Roles

CCMNet

Interests