Agenda

Table of contents

 

Thursday - August 4th (afternoon only)

 

12noon. Lunch.

 

1PM Session 0: Introductions - Rhiju Das and Jim Havranek. Chapel.


Break 15 min. In salmon gallery, outside chapel

 

3:30PM Session 1: Plenary Talks - Chair: John Karanicolas. Chapel.

 

A comparison of failed and successful designs Brian Kuhlman, Kuhlman Lab 20 min.

 

Enzyme and ligand binding design Sagar Khare, Baker Lab 20 min.

 

Invited talk: The fitness of all possible point mutants in a gene Dan Bolon, Bolon Lab 20 min.

 

Break 15 min.

 

 

Beverage & Snack Breaks

Breaks with complimentary beverages and snacks will be interspersed with the talks.
  Beverages
  • Regular & Decaf Coffee, Tea, Cider, & Hot Chocolate
  • Assorted Fruit Juices, Soft Drinks and Water
Snacks
  • Sliced Fresh Fruit, Vegetables, Crackers, Assorted Cheeses
  • Freshly Baked Cookies and Brownies

 

Homology coverage in the PDB Dylan Chivian, LBNL 20 min.

 

Perspectives on design and specificity Tanja Kortemme, Kortemme Lab 20 min.

 

RosettaCONtest announcement Seth Cooper, Baker Lab 5 min.

 

Let's assume we're running very late and just go to dinner 20 min.

 

6-7PM Dinner

 

7:20PM After Dinner Keynote Lecture. Chapel.

 

David Baker delivers the goods in an airing of dirty laundry sure to make the organizers regret scheduling a keynote speaker under duress.

 

7:40-9:30 Poster Session I. In Quail room.

 

Posters with last names A-M. With drinks!

 

9-11PM Network yourself silly in the lounge. Kingfisher terrace.

 

More drinks and snacks...

Sponsored by:




 

Friday - August 5th

 

7:30-8:30 Breakfast

 

9:00 AM Session 2: Plenary Talks - Chair: Ora Furman. Chapel.

 

Transient small-molecule binding pockets at protein-protein interfaces David Johnson, Karanicolas Lab 20 min.

 

No code left behind: Testing and the Rosetta community Sergey Lyskov 20 min.

 

Design of protein assembly structure Ingemar André, André Lab 20 min.

 

Efforts to establish a federally supported Rosetta center Jens Meiler, Meiler Lab 20 min.

 

Break 15 min.

 

Brownies and stuff.

 

The next sessions run concurrently.

 

10:35 AM Session 3A: Folding and Structure - Chair: Phil Bradley. Chapel.

 

Enumerating RNA folds at high resolution - the looping problem and blind tests Parin Sripakdeevong, Das Lab 20 min.

 

Crystal phasing and refinement Frank DiMaio, Baker Lab 20 min.

 

Rosetta and NMR Nikolas Sgourakis, Baker Lab 20 min.

 

Refining RNA crystallographic models by enumeration Fang-Chieh Chou, Das Lab 20 min.

 

10:35 AM Session 3B: Design of binding and catalysis - Chair: Brian Kuhlman. Woodpecker.

 

Anti-HA inhibitor design Tim Whitehead, Baker Lab 20 min.

 

How Markov State Models can help Rosetta Greg Bowman 20 min

 

Multi-state design of antibody-antigen interactions Jordan Willis, Meiler Lab 20 min.

 

Precise structural stabilization of a functional site through folding and design of a novel protein Bruno Correia, Schief Lab 20 min.

 

12:00-1:00PM Lunch

 

1:30-6:00PM Action Afternoon. Meet in the Chapel.

 

RosettaCon2011 Documentation Event

 

Woodpecker and Chapel and other rooms available.

 

3:30pm Break with snacks. In Salmon Gallery outside Chapel

     
 

The Rosetta Design Group would like to thank the Participants, the Rosetta Commons Community, the University of Washington, and the Sleeping Lady Mountain Retreat for making this event possible.

 
     

4:00-6:00PM The action continues

 

6:00-7:00PM Dinner

 

7:20PM Session 4: Taking care of business - Chair: Jeff Gray. Chapel.

 

The Rosetta licensing landscape Angela Loihl, UW Center for Commercialization 20 min.

 

Foldit-inspired loop design for an engineered Diels-Alderase... and maybe some CO2 Fixation Justin Siegel, Baker Lab 20 min.

 

Rich and Charlie: a very special issue of PLoS One 3 min

 

A special word from Alex Zanghellini 1 min

 

A special wrap-up from the RosettaCon Documentation Event 1 min

 

8:00-9:30PM Poster Session II. Quail.

 

Posters from authors with last name N-Z

 

9:00-11:00PM Drinks. Kingfisher Terrace

 

Saturday - August 6th

 

7:30-8:30 Breakfast

 

9:00AM Session 5: Plenary Talks - Chair: Jens Meiler. Chapel.

 

Modeling and manipulation of peptide-mediated interactions Ora Furman, Furman Lab 20 min.

 

Prediction of conformational changes in symmetric membrane proteins Vladimir Yarov-Yarovoy, Yarov-Yarovoy Lab 20 min.

 

Designing conformational selection for affinity and specificity, plus some other buzz words Jacob Corn, Genentech 20 min.

 

You're doing it all wrong: A contrarian's view of Rosetta Phil Bradley, Bradley Lab 20 min.

 

Break 15 min.

 

10:35AM Session 6A: Improvements in interfaces and scripting - Chair: Ingemar André. Chapel.

 

PyRosetta 2.0: I can make a new score term in 6 lines! Sergey Lyskov and Brian Weitzner, Gray Lab 20 min.

 

RosettaDiagram, a user-friendly gui interfaces to automatically generate RosettaScripts Lior Zimmermann, Furman Lab 20 min.

 

Metropolis Hastings Monte Carlo simulations with RosettaScripts Colin Smith, Kortemme Lab 20 min.

 

Recent Foldit results Firas Khatib, Baker Lab 20 min.

 

10:35 AM Session 6B: Improvements in scoring functions - Chair: Tanja Kortemme. Woodpecker.

 

Automated selection of stabilizing mutations in designed and natural proteins Ben Borgo, Havranek Lab 20 min.

 

Knowledge-based potential for partial covalent interactions (PCI-KBP) Steven Combs, Meiler Lab 20 min.

 

RSIM, a smarter score function and sampling strategy for RNA de novo modeling Jp Bida, Das lab 20 min

 

Predicting pKa shifts using the Rosetta score function Krishna Kilambi, Gray Lab 20 min.

 

 

12:00-1:00 Lunch

 

1:30PM Session 7: Plenary talks - Chair: Dominik Gront. Chapel.

 

Invited talk: "Improving on and reflecting on reference libraries for design & other computations" Jane Richardson, Richardson Lab 20 min.

 

Disulfide engineering in the context of folding pathways Chris Bystroff, Bystroff Lab 20 min.

 

The Barth lab overview Patrick Barth, Barth Lab 20 min.

 

Designing allosteric control into enzymes John Karanicolas, Karanicolas Lab 20 min.

 

 

Group Picture, then Break 15 min.

 

3:05PM Session 8A: Symmetry and conformational sampling - Chair: Rich Bonneau. Chapel.

 

Design of self-assembling protein materials Neil King, Baker Lab 20 min.

 

Preliminary ideas & results for enumerative and/or inverse-kinematic matching; maybe also matching on GPU, Will Sheffler, Baker Lab 20 min.

 

Accurate design of a symmetric homodimer using beta-strand assembly Ben Stranges, Kuhlman Lab 20 min.

 

Guiding protein docking simulations with chemical cross-link data Abdullah Kahraman, Malmstroem Lab 20 min.

 

3:05PM Session 8B: Loosely related topics - Chair: Lars Malmstroem. Woodpecker.

 

Using residue covariation to assess methods for modeling backbone flexibility in sequence design Noah Ollilainen, Kortemme Lab 20 min.

 

Rosetta in the cloud Peter Kunszt, Malmstroem Lab 20 min.

 

Metal-mediated affinity and orientation specificity in a computationally designed protein homodimer Bryan Der, Kuhlman Lab 20 min.

 

Unintended and Intended Backbone Flexibility in Protein Design Daniel Keedy, Richardson Lab 20 min.

 

Free time


6:00-7:00PM Dinner


7:30-9:00PM Hike and Ride Organization. Chapel.

 

9:00-10:00PM PI Meeting. Fire Circle.

 

9:00-11:00 Drinks. Kingfisher Terrace.


Sunday - August 7th

 

7:30-9:00AM Hike departures. Pick up your bag lunches

 

1:30PM Departure

backbone

About the Rosetta Design Group


The Rosetta Design Group LLC was established in 2007 to bridge the gap between the Rosetta Commons academic community and the pharmaceutical industry.

 
 
Contract R&D in modeling and bioinformatics

RDG provides services ranging from assistance to computational scientists in protocol development to fully out-sourced R&D in structural modeing and bioinformatics for computational and experimental groups whose demands exceed their in-house capacities.

 
 
Rosetta Design Group Website: http://www.rosettadesigngroup.com

Rosetta support resources, events, the Macromolecular Modeling Blog™, and more.

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Industry Participants


Alexandre Zanghellini
Arzeda
Louis Clark
Codexis
Jacob Corn
Genentech
Vanita Sood
EMD Serono

Charles Reed & Lei Jia
Intrexon

Rene de Jong
DSM Biotechnology Center

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Rosetta Commons Participants


  • Das Lab,
    Stanford, California
  • Rhiju Das
  • Parin Sripakdeevong
  • Frank Cochran
  • Fang-Chieh Chou
  • JP Bida

  • Havranek Lab,
    Washington University,
    St. Louis, MO
  • Jim Havranek
  • Chi Zhang
  • Ben Borgo

  • Kortemme Lab,
    UCSF
  • Tanja Kortemme
  • Amelie Stein
  • Roland Pache
  • Noah Ollikainen
  • Eyal Akiva
  • Shane O'Connor
  • Daniel Hoersch
  • Colin Smith

  • Kuhlman Lab,
    Chapel Hill, NC
  • Steven Lewis
  • Ben Stranges
  • Andrew Leaver-Fay
  • Ryan Hallett
  • Tim Jacobs
  • Brian Kuhlman
  • Bryan Der
  • Amanda Loshbaugh
  • Matthew O'Meara

  • Malmstroem Lab,
    ETH Zurich,
    Switzerland
  • Lars Malmstroem
  • Peter Kunszt
  • George Rosenberger
  • Abdullah Kahraman

  • Meiler Lab,
    Nashville, Tennessee
  • Jens Meiler
  • Steven Combs
  • Sam DeLuca
  • Gordon Lemmon
  • David Nannemann
  • Brittany Allison
  • Stephanie Hirst
  • Jordan Willis
  • Rene Meier

  • Gray Lab, JHU
  • Sergey Lyskov
  • Brian Weitzner
  • Krishna Praneeth Kilambi
  • Jianqing Xu
  • Michael Pacella
  • Andrea Jones
  • Jeff Gray
  • Robin A Thottungal

  • Schief Lab, Scripps
  • Sergey Menis
  • Strauss Lab,
    Los Alamos National Lab,
    Los Alamos, NM
  • Charlie Strauss
  • Dan Kulp
  • Ramesh Jha

  • Baker Lab, UW
  • Hetu Kamisetty
  • Nikolas Sgourakis
  • Patrick Conway
  • Ken Jung
  • Javier Castellanos
  • Jacob Bale
  • Erik Procko
  • Tim Whitehead
  • Sridharan Rajagopalan
  • Will Sheffler
  • Firas Khatib
  • Seth Cooper
  • Yifan Song
  • Lei Shi
  • Nobuyasu Koga
  • Rie Koga
  • Josh Friedman
  • Shawn Yu
  • Mindy Szeto
  • Hannes Harbrecht
  • Matthew Bick
  • Chris Eiben
  • Justin Siegel
  • Ray Wang
  • David Baker
  • Sandrine Boissel

  • Bradley Lab, FHCRC
  • Chris King
  • Phil Bradley
  • Angela Liu

  • André Lab,
    Lund University
  • Ingemar André
  • Sebastian Rämisch
  • Robert Lizatovi?

  • Yarov-Yarovoy Lab,
    University of California Davis
  • Vladimir Yarov-Yarovoy

  • National Renewable Energy Lab,
    Golden, CO
  • Deanne Sammond

  • Richardson Lab,
    Durham, NC
  • Jane Richardson

  • Furman Lab,
    Hebrew University
  • Ora Schueler-Furman
  • Lior Zimmerman
  • Barak Raveh
  • Michal Sperber
  • Karanicolas Lab,
    Lawrence, KS
  • John Karanicolas
  • Chet Egan
  • Ragul Gowthaman
  • David Johnson
  • Karen Khar

  • Barth Lab,
    Baylor College of Medicine
  • Patrick Barth
  • Joaquin Garrido

  • Pande Lab,
    Stanford University
  • Greg Bowman
  • Vijay Pande
  • Gert Kiss
  • TJ Lane

  • Bolon Lab,
    University of Massachusetts Med School
  • Dan Bolon

  • Office of Cyber Infrastructure and Computational Biology,
    NIAID, Bethesda, MD
  • Xavier Ambroggio

  • Center for Commercialization,
    UW, Seattle, WA
  • Angela Loihl

  • Gront Lab,
    Warsaw University, Poland
  • Dominik Gront

  • Eisenberg Lab, UCLA
  • Luki Goldschmidt

  • Bystroff Lab, RPI
  • Chris Bystroff
  • Yao-ming Huang
  • Derek Pitman

  • Bonneau Lab, NYU
  • Richard Bonneau
  • Kevin Drew
  • Tim Craven
  • Noah Youngs

  • Institute for Systems Biology,
    Seattle WA
  • Justin Ashworth

  • SBGrid.org, HMS,
    Boston MA
  • Andrew Morin

  • LBNL/Joint BioEnergy Institute,
    Berkeley CA
  • Dylan Chivian
  • Sean Poust
  • Greg Friedland

  • HHMI,
    Janelia Farm Research Campus,
    Ashburn VA
  • Loren Looger
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