Gordon Research Conferences
Meeting Details
Search:
  GO

Computational Aspects - Biomolecular NMR
Gordon Research Conference

Uniting NMR and Computational Approaches to Push the Frontiers of Dynamic Structure and Conformational Transitions Critical to Function and Dysfunction

Dates

June 11-16, 2017

Location

Grand Summit Hotel at Sunday River
Newry, ME Site Information

Organizers

Chair:
Valerie Daggett

Vice Chair:
Christian Griesinger

Application Deadline

Applications for this meeting must be submitted by May 14, 2017. Please apply early, as some meetings become oversubscribed (full) before this deadline. If the meeting is oversubscribed, it will be stated here. Note: Applications for oversubscribed meetings will only be considered by the Conference Chair if more seats become available due to cancellations.

Meeting Description

The Gordon Research Conference on Computational Aspects of Biomolecular NMR provides a unique forum for the presentation and discussion of emerging methods at the intersection of experimental Nuclear Magnetic Resonance (NMR), computational methods and other complementary biophysical techniques.

NMR is one of the most versatile methods for the investigation of biomolecular systems, whether these are proteins, nucleic acids, glycans, membranes, or functioning cellular and in vivo systems. Computational approaches have long been a necessary component of NMR applications. In combination with other complementary biophysical methods, NMR and computation contribute to our understanding and diagnosis of function and disease, the development of therapeutics to combat disease, and characterization of increasingly challenging systems due to their size, dynamics, and complicated conformational behavior. The combined use of NMR and computational methods provides unique structural, dynamical and functional information to achieve these goals, and increasingly many other complementary methods and techniques are being integrated for a more comprehensive view. This GRC conference will bring together practitioners in NMR, computational structural biology and other complementary biophysical techniques for the purpose of generating new ideas and promoting collaborations in order to catalyze the next generation of integrative methods that will allow us to tackle ever more challenging systems.

The 2017 meeting will have sessions devoted to advances and applications in computational methods, and as applied in combination with NMR and other biophysical methods to push the frontiers of structural biology particularly in the areas of conformational transitions, intrinsically disordered systems and interactions, dynamics and drug design, conformational variability and challenges in structure determination. The prominent list of speakers, along with the small format of the conference, will provide unique opportunities for graduate students, postdocs, and both those in the field and new to this research area, to discuss their ideas. Extensive poster sessions, along with oral presentations chosen from the submitted poster abstracts, will facilitate this process.

Related Meeting

This GRC will be held in conjunction with the "Computational Aspects - Biomolecular NMR" Gordon Research Seminar (GRS). Those interested in attending both meetings must submit an application for the GRS in addition to an application for the GRC. Refer to the associated GRS program page for more information.

Contributors

Meeting Program

Sunday
2:00 pm - 9:00 pmArrival and Check-in
6:00 pmDinner
7:30 pm - 7:40 pmWelcome / Introductory Comments by GRC Site Staff
7:40 pm - 9:30 pmBringing It All Together: NMR, Computation and Complementary Biophysical Techniques to Map Dynamic Structure and Interactions
Discussion Leader: Jeffrey Hoch (University of Connecticut Health Center, USA)
7:40 pm - 7:50 pmOpening Remarks
7:50 pm - 8:30 pmAlexandre Bonvin (Utrecht University, The Netherlands)
"3D Modelling of Biomolecular Complexes from Fuzzy Data"
8:30 pm - 8:40 pmDiscussion
8:40 pm - 9:20 pmAngela Gronenborn (University of Pittsburgh, USA)
"Integrative Methods"
9:20 pm - 9:30 pmDiscussion
Monday
7:30 am - 8:30 amBreakfast
9:00 am - 12:30 pmComputer Simulation Techniques Across Length and Timescales
Discussion Leader: Heather Carlson (University of Michigan, Ann Arbor, USA)
9:00 am - 9:30 amKresten Lindorff-Larsen (University of Copenhagen, Denmark)
"Conformational Exchange from Molecular Simulations and NMR: How Well Do They Match?"
9:30 am - 9:40 amDiscussion
9:40 am - 10:10 amTamar Schlick (New York University, USA)
"Probing Higher-Order Chromatin Architecture by Mesoscale Simulations"
10:10 am - 10:20 amDiscussion
10:20 am - 10:50 amCoffee Break
10:50 am - 11:20 amJim Pfaendtner (University of Washington, USA)
"Accelerating Sampling of High Dimensional Systems for Comparison to NMR Experiments"
11:20 am - 11:30 amDiscussion
11:30 am - 12:00 pmLate-Breaking Topic
12:00 pm - 12:10 pmDiscussion
12:10 pm - 12:25 pmShort Talk Selected from Poster Abstracts
12:25 pm - 12:30 pmDiscussion
12:30 pmLunch
1:30 pm - 4:00 pmFree Time
4:00 pm - 6:00 pmPoster Session
6:00 pmDinner
7:30 pm - 9:30 pmData, Signal Processing and Pushing the Limits of NMR
Discussion Leader: Tatyana Polenova (University of Delaware, USA)
7:30 pm - 8:00 pmIlya Kuprov (University of Southampton, United Kingdom)
"3D Reconstruction of Lanthanide Tag Densities in Paramagnetic Proteins"
8:00 pm - 8:10 pmDiscussion
8:10 pm - 8:40 pmMichael Nilges (Institut Pasteur, France)
"Computational Methods for Integrative Structural Biology"
8:40 pm - 8:50 pmDiscussion
8:50 pm - 9:20 pmChad Rienstra (University of Illinois at Urbana-Champaign, USA)
"Determining Challenging Structures by Solid-State NMR: Methods and Examples"
9:20 pm - 9:30 pmDiscussion
Tuesday
7:30 am - 8:30 amBreakfast
9:00 am - 12:30 pmCharacterizing the Edges of Structure and the Dark Proteome
Discussion Leader: Arthur Palmer (Columbia University, USA)
9:00 am - 9:30 amAshok Deniz (The Scripps Research Institute, USA)
"Single Molecule Biophysics of Protein Disorder"
9:30 am - 9:40 amDiscussion
9:40 am - 10:10 amDebbie Marks (Bauer Center for Genomics Research, Harvard University, USA)
"Order in Disorder"
10:10 am - 10:20 amDiscussion
10:20 am - 10:50 amCoffee Break
10:50 am - 11:20 amMalene Ringkjobing-Jensen (Institut de Biologie Structurale, CNRS, France)
"Visualizing the Assembly of Highly Dynamic MAPK Cell Signalling Complexes"
11:20 am - 11:30 amDiscussion
11:30 am - 12:00 pmMichele Vendruscolo (University of Cambridge, United Kingdom)
"Ensemble Restraint-Based Modeling to Tackle Disordered Proteins"
12:00 pm - 12:10 pmDiscussion
12:10 pm - 12:25 pmShort Talk Selected from Poster Abstracts
12:25 pm - 12:30 pmDiscussion
12:30 pmLunch
1:30 pm - 4:00 pmFree Time
4:00 pm - 6:00 pmPoster Session
6:00 pmDinner
7:30 pm - 9:30 pmProtein Interactions Involving Intrinsically Disordered Species
Discussion Leader: Debbie Marks (Bauer Center for Genomics Research, Harvard University, USA)
7:30 pm - 8:00 pmMonika Fuxreiter (University of Debrecen, Hungary)
"Dynamic Interactions and Fuzziness in Protein Complexes and Higher-Order Assemblies"
8:00 pm - 8:10 pmDiscussion
8:10 pm - 8:40 pmRichard Kriwacki (St. Jude Children's Research Hospital, USA)
"Elucidating the Role of Intrinsically Disordered Proteins in Regulation"
8:40 pm - 8:50 pmDiscussion
8:50 pm - 9:20 pmIvet Bahar (University of Pittsburgh, USA)
"Allosteric Modulation of g-Secretase Complex Dynamics"
9:20 pm - 9:30 pmDiscussion
Wednesday
7:30 am - 8:30 amBreakfast
8:30 amGroup Photo
9:00 am - 12:30 pmMolecular Mechanisms of Allostery
Discussion Leader: James Prestegard (University of Georgia, USA)
9:00 am - 9:30 amDorothee Kern (Howard Hughes Medical Institute / Brandeis University, USA)
"NMR and Allostery"
9:30 am - 9:40 amDiscussion
9:40 am - 10:10 amRuth Nussinov (National Cancer Institute, NIH, USA)
"Ras Conformational Ensembles, Allostery, and Signaling"
10:10 am - 10:20 amDiscussion
10:20 am - 10:50 amCoffee Break
10:50 am - 11:20 amEmanuele Paci (University of Leeds, United Kingdom)
"Modeling Allostery"
11:20 am - 11:30 amDiscussion
11:30 am - 12:00 pmElena Papaleo (Danish Cancer Society Research Center, Denmark)
"Long-Range Structural Communication in Cancer-Related Transcription Factors"
12:00 pm - 12:10 pmDiscussion
12:10 pm - 12:25 pmShort Talk Selected from Poster Abstracts
12:25 pm - 12:30 pmDiscussion
12:30 pmLunch
1:30 pm - 4:00 pmFree Time
4:00 pm - 6:00 pmPoster Session
6:00 pmDinner
7:00 pm - 7:30 pmBusiness Meeting
Nominations for the Next Vice Chair; Fill in Conference Evaluation Forms; Discuss Future Site and Scheduling Preferences; Election of the Next Vice Chair
7:30 pm - 9:30 pmProtein Dynamics and Drug Design
Discussion Leader: David Case (Rutgers University, USA)
7:30 pm - 8:00 pmHeather Carlson (University of Michigan, Ann Arbor, USA)
"MixMD: Cosolvent Molecular Dynamics for Mapping Protein Hotspots"
8:00 pm - 8:10 pmDiscussion
8:10 pm - 8:40 pmNikolay Dokholyan (University of North Carolina at Chapel Hill, USA)
"Regulation of Cellular Networks by Controlling Protein Structural Disorder"
8:40 pm - 8:50 pmDiscussion
8:50 pm - 9:20 pmJohn Karanicolas (Fox Chase Cancer Center, USA)
"A New Druggable Site to Rescue p53 Folding and Activity"
9:20 pm - 9:30 pmDiscussion
Thursday
7:30 am - 8:30 amBreakfast
9:00 am - 12:30 pmFast Protein Dynamics, Combining Computation and NMR to Shed Light on Function
Discussion Leader: Rafael Bruschweiler (The Ohio State University, USA)
9:00 am - 9:30 amLucia Banci (University of Florence, Italy)
"Atomic-Level Description of Functional Processes"
9:30 am - 9:40 amDiscussion
9:40 am - 10:10 amTheresa Head-Gordon (University of California, Berkeley, USA)
"Molecular Dynamics for Modeling Intrinsically Disordered Proteins"
10:10 am - 10:20 amDiscussion
10:20 am - 10:50 amCoffee Break
10:50 am - 11:20 amLorna Smith (University of Oxford, United Kingdom)
"Proteins at Low pH: Conformational Ensembles from Magnetic Resonance Data"
11:20 am - 11:30 amDiscussion
11:30 am - 12:00 pmJosh Wand (University of Pennsylvania, USA)
"Evaluation of Entropy in Molecular Recognition by Proteins"
12:00 pm - 12:10 pmDiscussion
12:10 pm - 12:25 pmShort Talk Selected from Poster Abstracts
12:25 pm - 12:30 pmDiscussion
12:30 pmLunch
1:30 pm - 4:00 pmFree Time
4:00 pm - 5:30 pmPoster Session
5:30 pm - 7:30 pmTackling Large-Scale Protein Motions
Discussion Leader: Angela Gronenborn (University of Pittsburgh, USA)
5:30 pm - 6:00 pmSophie Sacquin-Mora (CNRS, France)
"Protein Mechanics as a Bridge Between Structure and Function, a Coarse-Grain Approach"
6:00 pm - 6:10 pmDiscussion
6:10 pm - 6:40 pmXun-Cheng Su (Nankai University, China)
"3D Structure Determination of Unstable Transient Enzyme Intermediates Using PCSs"
6:40 pm - 6:50 pmDiscussion
6:50 pm - 7:20 pmVincent Hilser (Johns Hopkins University, USA)
"How the Unfolding of Segments of Structures Is Used to Tune Km and Kcat of Enzymes"
7:20 pm - 7:30 pmDiscussion
8:00 pmDinner
Friday
7:30 am - 8:30 amBreakfast
9:00 amDeparture
© 2017 Gordon Research Conferences Search | Contact | Terms of Use | Privacy Policy | Follow us: Facebook Twitter