Course Description

Duration: three workshop days, six sessions (one morning and one afternoon per day)

Each hands-on session should start with a brief, specific introduction of the respective topic and instructions for the hands-on part



Computational techniques have become essential in guiding and complementing experimental efforts to gain insight into the structure and function of proteins. In particular, molecular modeling and dynamics simulations play key roles in modern studies of molecular recognition, drug design, functional mechanisms, conformational changes, and protein evolution. Therefore, developing fundamental understanding of these techniques will be an invaluable tool for anyone interested in shaping the future of structural biology. 


Participants will use popular open-source tools and techniques necessary for performing successful molecular modeling and dynamics studies, evaluating the quality of the relevant experimental input and modeling-generated data, and visualizing these data in a meaningful way. We emphasize in particular homology modeling and draw examples from the field of membrane proteins. Our focus will be on the essential considerations behind the practical application, useful tips for appropriate decision making, and the integration of both into meaningful approaches with intuitively accessible hands-on exercises.

Who should attend

  • Researchers and academics interested in learning tools to explore, visualize and understand biomolecular structures and their functions
  • Clinicians, researchers and academics who want to predict the effect of mutations or drug molecules on the structure and function of a protein, using three-dimensional structural modeling and molecular dynamics
  • Program administrators who would like to learn about the limitations and requirements of cutting-edge, structure-based modeling/dynamics methods and tools. 


Hands-on Skills/Tools taught




General introduction, briefing for visualization, electron densities, structure quality analysis


Hands-on visualization, electron densities


Structure quality analysis


Introduction for homology modeling, molecular dynamics (MD) simulations


Homology modeling with Modeller


MD with Gromacs: energy minimization, system equilibration, analysis



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 this course each participant will receive a certificate, showing completion of the workshop and 2.1 CEUs.

Refund Policy

100% tuition refund for registrations canceled 14 or more days prior to the start of the workshop.

50% tuition refund for registrations canceled between 4 to 13 days prior to the start of the workshop.

No refund will be issued for registrations canceled 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 registrar@faes.org.

Cancellations received after hours are time marked for the following day.

All refund payments will be processed by the start of the initial workshop.

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