2018 Workshop on Free Energy Methods, Kinetics and Markov State Models in Drug Design: Videos are up!

The 2018 Workshop on Free Energy Methods, Kinetics and Markov State Models in Drug Design held at the Novartis NIBR campus in Cambridge, MA was a huge success! You can read some of the livetweeting by following #drugalchemy and #drugmsm on twitter, and catch up on talks you may have missed by going through our YouTube video playlist featuring recordings of all talks where the speakers consented to being recorded.

Special thanks to lead organizers Michael Schnieders and Greg Bowman, the fantastic panel of organizers, postdoc Levi Naden and Novartis Investigator Callum Dickson for wrangling A/V and venue details, Jose Duca for graciously allowing us to use the NIBR site, the Novartis A/V team, keynote speaker Mark Murcko, our hosts at Novartis, and all our wonderful speakers and participants for making this a success.

Posters from the Computer Aided Drug Discovery (CADD) GRC

Several members of the lab (John Chodera, Sonya Hanson, Patrick Grinaway, and Julie Behr) are here at Mount Snow, VT for the Computer Aided Drug Discovery Gordon Research Conference (CADD GRC).

A number of folks have asked for copies of our posters, so here they are!

 

• John Chodera - YANK, an open-source GPU-accelerated Python framework for alchemical free energy calculations
• Julie Behr - Finding resistance mutations with alchemical free energy calculations
• Sonya Hanson - Comparing measured and calculated free energies of binding using high-throughput fluorescence-based measurements of kinase inhibitor affinity

The Chodera lab is headed to the Biophysical Society Meeting in Baltimore

Four members of the Chodera lab will be headed to the Feb 7-11 Biophysical Society Meeting in Baltimore, MD!
Postdocs Sonya Hanson and Kyle Beauchamp will both be giving talks:

• [095.000] Platform: Computational and Simulation Methods: [919-Plat] BENCHMARKING AND OPTIMIZING ATOMISTIC FORCEFIELDS WITH DENSITY MEASUREMENTS
  Mon 9 Feb 8.45A - Room 309/310 - Kyle A. Beauchamp
• [170.000] Platform: Protein-Small Molecule Interactions: [1795-Plat] DEVELOPING HIGH THROUGHPUT FLUORESCENCE BASED ASSAYS FOR MEASURING KINASE INHIBITOR FREE ENERGIES OF BINDING
  Tue 10 Feb 12.30P - Room 316/317 - Sonya M. Hanson

In addition, Sonya Hanson will serve as an official guest blogger for the BPS 2015 meeting!  Be sure to tune into the official BPS Blog to follow along!

Talk slides will be posted after the conference.

Rumor has it the lab will also make a brief appearance at the Society for Laboratory Automation and Screening SLAS2015 conference in Washington DC.