January 21, 2020 to January 24, 2020
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: email@example.com or call 301-496-7975 for space availability.
NIH Only: Payment approval and authorization is done through your AO or lab manager. Receiving lab approval does not constitute enrollment. Fellows or those being sponsored by their lab can enroll using the Contract: SF- 182 form while waiting for authorization of payment.
Computational drug design and discovery has been a challenging task due to limitations in available computing resources. Public cloud computing facilities have dramatically changed this scenario, by bringing the most powerful computing systems within a click away, with unprecedented low cost options.
This hands-on training will introduce researchers to the concepts, methods and tools for structure and ligand based computational drug designing and discovery using the open source tools and the cloud computing facilities.
- Cloud-based, high performance computing platform
- Training provided by active NIH researchers
- Cookbook style bound manual for all exercises
- Continuing Education Credits
Who should attend
- Researchers, clinicians, and academics interested in learning the tools to computationally design, screen and validate drugs
- Program administrators who are interested in getting a firsthand experience on the concepts and methods used for open source structure and ligand based drug designing
Tools/Skills to be Taught (tentative)
- Ligand preparation : OpenBabel
- Target preparation: Chimera
- Databases: ZINC, PubChem, ChemSpider, ChEMBL, DrugBank, Binding DB
- Docking: AutoDockTools
- Visualization: Chimera, PyMOL
- Structure based virtual screening: AutoDock, Dock
- Ligand drawing & visualization : Chemdraw, Chemsketch
- Compound library : ChemT (or DRUGSTER or FSees)
- Descriptors : Mold2
- QSAR : Open3DQSAR (or TEST or Coral)
- Pharmacophore exploration : Open3DQSAR (or DRUGON or pharmacophore)
- Ligand alignment : LIGSIFT
- Ligand based virtual screening: LIGSIFT (or MOLA or lisica)
- ADMET, Toxicity estimation : Toxtree (or DataWarrior)
Contains all notes, protocols, and reference material needed. No additional books are required.
Although no grades are given for BioTech Courses, each participant will receive Continuing Education Units (CEUs) based on the number of contact hours. Upon completion of this 4-day program, each participant will receive 2.8 CEUs. Upon completion of each workshop, a certificate is issued.
New Refund Policy
100% tuition refund for registrations cancelled 14 or more days prior to the start of the workshop.
50% tuition refund for registrations cancelled between 4 to 13 days prior to the start of the workshop.
No refund will be issued 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 firstname.lastname@example.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.
Suggested Lodging Accommodations
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.