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BIOF 077 (Formerly BioTech 77) | Molecular Modeling and Molecular Dynamics: Hands-on Training

February 18, 2020 to February 21, 2020

NIH Campus- Bethesda, Maryland

Registration occurs on a first-come, first-served basis. The deadline for registration is one week before the first day of the course.  If you are unable to register before the deadline, please email: or call 301-496-7977 for space availability.

NIH Fellows or NIH community members being sponsored by their lab can enroll tentatively, using the Contract: SF-182 option on the workshop’s registration site while waiting for authorization of payment. Enrollment is not guaranteed until payment is received.

Register Now

Contract: SF-182

Predicting the effect of a mutation on the structure and function of a protein is not just for researchers with super-computer facilities. Thanks to public cloud computing options, anyone with basic molecular biology background can setup and run compute intensive computational modeling and dynamics experiments.

Participants will use popular open source tools and techniques necessary for conducting successful molecular modeling and dynamics experiments... in the cloud.

Who should attend

  • Researchers and academics interested in learning tools to explore, visualize and understand biomolecular structures and their functions in three dimensions.
  • Clinicians, researchers and academics interested in understanding/predicting the effect of mutations or drug molecules on the structure and function of a biological molecule, using three dimensional structural modeling and molecular dynamics
  • Program administrators who are interested in getting a firsthand experience working with cutting edge, structure-based modeling/dynamics methods and tools.

Hands-on Skills/Tools taught

  1. Ab initio protein structure modeling: QUARK / Rosetta
  2. Remote homology detection: HHpred
  3. Fragment-based protein structure modeling: Phyre2
  4. Homology-based protein structure modeling: I-TASSER, MODELLER
  5. Protein structure quality analysis: PROCHECK, WHAT_IF, Verify3D, PDB-REDO
  6. Protein structure refinement: ModRefiner, ModLoop, Ramachandran plot
  7. Macromolecular visualization: VMD, USCF Chimera
  8. Molecular dynamics: NAMD


  • Cloud-based, high performance computing platform
  • Training provided by active NIH researchers
  • Cookbook style bound manual for all exercises
  • Continuing Education Credits

Workshops generally run from 9:00am - 5:00pm.​

Comprehensive Binder
Contains all notes, protocols, and reference material needed. No additional books are required. 

Although no grades are given for courses, each participant will receive Continuing Education Units (CEUs) based on the number of contact hours.   One CEU is equal to ten contact hours. Upon completion of the course each participant will receive a certificate, showing completion of the workshop and 2.8 CEUs.

Training Rate
Discounted Training Rates
$695.00 - NIH Trainees (Fellows, PostDocs, PostBacs working at the NIH Campus)
$895.00 - NIH Community (Working, Appointed, or Assigned to the NIH Campus)
$999.00 - Academia, US Government, US Military 

Refund Policy
100% tuition refund for registrations cancelled 14 or more calendar days prior to the start of the workshop.
50% tuition refund for registrations cancelled between 4 to 13 calendar days prior to the start of the workshop.
No refund will be issued for registrations cancelled 3 calendar days or less prior to the start of the workshop.

All cancellations must be received in writing via email to Ms. Carline Coote at
Cancellations received after 4:00 pm (ET) on business days or received on non-business days are time marked for the following business day. 
All refund payments will be processed by the start of the initial workshop.

Suggested Accommodation
A special rate is available to all workshop attendees. This includes complimentary buffet breakfast, guest room Wi-Fi, and discounted $15 parking per night. The hotel provides complimentary shuttle service to/from the NIH campus. The hotel is also within walking distance of the training facility. Reservations can be made online, see below.  

The Bethesdan by Hilton

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