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BIOF 077 | Molecular Modeling and Molecular Dynamics

August 27, 2019 to August 30, 2019

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 employees paying with the signed vendor copy of the SF-182 form, please email:

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
  • Direct, after training support through exclusive forum membership
  • Continuing Education Credits

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

View Tentative Agenda

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.

Refund Policy 
100% tuition refund or 100% full workshop credit is available for registrations cancelled 14 or more days prior to the start of the workshop.    
50% tuition refund or 100% full workshop credit is available for registrations cancelled between 4 to 13 days prior to the start of the workshop. 
 0% refund, 100% full workshop credit is available for registrations cancelled 3 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 hours are time marked for the following day. 
In regards to a full or partial refund or a full workshop credit, you must indicate which option you are selecting at the time of your written cancellation. 
All refund payments will be processed by the start of the initial workshop.

Suggested Accommodation:
A special rate is available to all BioTech Workshop attendees. This includes complimentary continental breakfast, guest room Wi-Fi and discounted $15 parking per night. Hotel is within walking distance of the training facility   Reservations can be made online, see below. 

DoubleTree by Hilton Bethesda - Washington DC

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