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행사/교육

Computational Aspects - Biomolecular NMR

  • 등록일2013-02-22
  • 조회수4155
  • 구분 국외
  • 행사교육분류 행사
  • 주관기관
    GRC
  • 행사장소
    Mount Snow Resort West Dover, VT
  • 행사기간
    2013-06-02 ~ 2013-06-07
  • 원문링크
  • 첨부파일

Computational Aspects - Biomolecular NMR

 


Application Deadline
Applications for this meeting must be submitted by May 5, 2013. 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.


Related Meeting Information
The Computational Aspects - Biomolecular NMR Gordon Research Conference will be held in conjunction with the Computational Aspects - Biomolecular NMR Gordon Research Seminar. Those interested in attending both meetings must submit an application for the GRS in addition to an application for the GRC. Please refer to the Computational Aspects - Biomolecular NMR GRS web page for more information.

 

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) and computational analysis and prediction. NMR is one of the more versatile methods for the investigation of biomolecular systems, whether these are proteins, nucleic acids, glycans, membranes, or functioning cellular systems. This versatility has allowed application to systems of ever increasing complexity, but only at the expense of dealing with new types of data, large amounts of data, and integration with data from other methodologies. Computational platforms that handle data efficiently, merge data types, and provide for the use of more limited data sets have become essential in dealing with applications of NMR to advanced problems in structural, dynamical and systems biology. This conference will bring together practitioners in NMR and computational biology for the purpose of promoting the collaborations needed to generate these platforms and advance applications to ever more challenging systems.

 

We anticipate sessions devoted to data driven macromolecular structure prediction, hybrid approaches to structure determination, analysis of molecular dynamics, screening of ligand interactions, and deconvolution of complex metabolic processes. The prominent list of speakers, along with the small format of the conference, will provide unique opportunities for graduate students, postdocs, and those new to this research area, to discuss their research with leaders in the field. Extensive poster sessions, along with promoted talks, will facilitate this process. New this year is a Gordon Research Seminar which will precede the conference. While graduate students and postdocs working in all areas of computational NMR are welcome, the Seminar will provide a special focus on the study of metabolic systems which will appeal particularly to practitioners of NMR and related techniques in metabolomic aspects of systems biology, microbiology, toxicology, genomics and medicine. Besides providing an excellent opportunity for graduate students and postdocs to become familiar with the atmosphere of a Gordon Conference, the Seminar will feature keynote talks from leaders in metabolomic NMR and speaking slots for a number of students and postdocs. Application for the Seminar and Conference are separate, and those interested should consult the Seminar description.


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Program

 

SUNDAY

2:00 pm - 9:00 pm Arrival and Check-in (Office Closed 6:00 pm - 7:00 pm)
6:00 pm Dinner
7:30 pm - 7:40 pm Welcome / Introductory Comments by GRC Site Staff
7:40 pm - 9:30 pm Meeting Challenges in Structural Biology with NMR and Computation
Discussion Leader: James Prestegard (University of Georgia)
7:40 pm - 8:20 pm Hashim al-Hashimi (University of Michigan)
"New Insights into Nucleic Acid Folding, Structure, and Dynamics from the Combined Application of NMR and Computational Methods"
8:20 pm - 8:35 pm Discussion
8:35 pm - 9:15 pm Jane Richardson (Duke University)
"Touring the Ensembles with Ruler and Eye"

9:15 pm - 9:30 pm

 

Discussion

MONDAY

 

7:30 am - 8:30 am Breakfast
9:00 am - 12:30 pm Advances in Computer Aided Structure Determination
Discussion Leader: Antonio Rosato (University of Florence)
9:00 am - 9:25 am Peter Güntert (Goethe University)
"Automated Assignment and the Information Content of NMR Data"
9:25 am - 9:35 am Discussion
9:35 am - 10:00 am Oliver Lange (Technische Universität München)
"Structure Determination with CS-Rosetta"
10:00 am - 10:10 am Discussion
10:10 am Group Photo / Coffee Break
10:50 am - 11:15 am Thërèse Malliavin (Institut Pasteur)
"Bayesian Analysis of NMR Restraints"
11:15 am - 11:25 am Discussion
11:25 am - 11:50 am Geerten Vuister (University of Leicester)
"Improving Structural Quality of NMR-Derived Protein Structures: Lessons Learned from Experimentation, Computation and Databases"
11:50 am - 12:00 pm Discussion
12:00 pm - 12:15 pm TBA (Poster Talk)
12:15 pm - 12:30 pm Discussion
12:30 pm Lunch
1:30 pm - 4:00 pm Free Time
4:00 pm - 6:00 pm Poster Session
6:00 pm Dinner
7:30 pm - 9:30 pm Ensemble Representations and Conformational Sampling
Discussion Leader: Claudio Luchinat (University of Florence)
7:30 pm - 7:55 pm Malene Jensen (Institut de Biologie Structurale-Jean-Pierre Ebel)
"Defining Representative Ensembles of Intrinsically Disordered States from Experimental NMR Data"
7:55 pm - 8:05 pm Discussion
8:05 pm - 8:30 pm Gottfried Otting (Australian National University)
"Structural Information from Mobile Lanthanide Tags"
8:30 pm - 8:40 pm Discussion
8:40 pm - 9:05 pm Nikolai Skrynnikov (Purdue University)
"Modeling a System with Intrinsic Disorder: An NMR/MD Study of Peptide-Protein Encounter Complex"
9:05 pm - 9:15 pm Discussion
9:15 pm - 9:25 pm TBA (Poster Talk)

9:25 pm - 9:30 pm

 

Discussion

TUESDAY

 

7:30 am - 8:30 am Breakfast
9:00 am - 12:30 pm Computer Simulations of Biomolecular Structure and Dynamics
Discussion Leader: Valerie Daggett (University of Washington)
9:00 am - 9:25 am Mikael Akke (Lund University)
"Order Parameters and Conformational Entropies: an Attempt at a Critical Assessment Based on MD Simulations"
9:25 am - 9:35 am Discussion
9:35 am - 10:00 am Heather Carlson (University of Michigan)
"Mapping Protein Surfaces with MixMD"
10:00 am - 10:10 am Discussion
10:10 am Coffee Break
10:40 am - 11:05 am Rebecca Wade (Heidelberg Institute for Theoretical Studies)
"Exploring the Interplay Between Molecular Flexibility and Ligand Binding by Simulation"
11:05 am - 11:15 am Discussion
11:15 am - 11:40 am Willy Wriggers (DE Shaw Research)
"Use of Long-Timescale Molecular Dynamics for Integrative Structure Refinement"
11:40 am - 11:50 am Discussion
11:50 am - 12:05 pm TBA (Poster Talk)
12:05 pm - 12:10 pm Discussion
12:10 pm - 12:25 pm TBA (Poster Talk)
12:25 pm - 12:30 pm Discussion
12:30 pm Lunch
1:30 pm - 4:00 pm Free Time
4:00 pm - 6:00 pm Poster Session
6:00 pm Dinner
7:30 pm - 9:30 pm Optimizing Data Acquisition and Analysis
Discussion Leader: Arthur Edison (University of Florida)
7:30 pm - 7:55 pm Jeffrey Hoch (University of Connecticut)
"Maximum Entropy Deconvolution in Multiple Dimensions: Simultaneous Improvement in Resolution and Sensitivity"
7:55 pm - 8:05 pm Discussion
8:05 pm - 8:30 pm Tatyana Polenova (University of Delaware)
"Non-Uniform Sampling in Biosolids NMR: Enabling Structural Studies of Protein Assemblies through Sensitivity Enhancements and Rapid Data Collection"
8:30 pm - 8:40 pm Discussion
8:40 pm - 9:05 pm David Rovnyak (Bucknell University)
"Nonuniform Sampling for Sensitivity Enhancement in the Time Domain"
9:05 pm - 9:15 pm Discussion
9:15 pm - 9:25 pm TBA (Poster Talk)
9:25 pm - 9:30 pm

Discussion

 

WEDNESDAY

 

7:30 am - 8:30 am Breakfast
9:00 am - 12:30 pm Analyzing Metabolomic and Metabolism Data
Discussion Leader: David Wishart (University of Alberta)
9:00 am - 9:25 am Silvia Mari (R4R - Research for Rent)
"Currents and Prospects of Metabolomics Applied to the Study of Human Diseases"
9:25 am - 9:35 am Discussion
9:35 am - 10:00 am John Markley (University of Wisconsin-Madison)
"Metabolomics Databases and Computational Approaches to Data Analysis"
10:00 am - 10:10 am Discussion
10:10 am Coffee Break
10:40 am - 11:05 am Matthew Merritt (University of Texas Southwestern Medical Center)
"Understanding Kinetics in Living Systems Using Hyperpolarized 13C"
11:05 am - 11:15 am Discussion
11:15 am - 11:40 am Göran Widmalm (Stockholm University)
"CASPER: A Computerized Approach for NMR Chemical Shift Predictions and Automatic Structural Elucidation of Carbohydrates"
11:40 am - 11:50 am Discussion
11:50 am - 12:05 pm TBA (Poster Talk)
12:05 pm - 12:10 pm Discussion
12:10 pm - 12:25 pm TBA (Poster Talk)
12:25 pm - 12:30 pm Discussion
12:30 pm Lunch
1:30 pm - 4:00 pm Free Time
4:00 pm - 6:00 pm Poster Session
6:00 pm Dinner
7:30 pm - 9:30 pm Complementing NOEs in Structure and Dynamics Determinations
Discussion Leader: David Case (Rutgers University)
7:30 pm - 7:55 pm Gerhard Hummer (NIDDK- National Institutes of Health)
"Order and Disorder in Protein Assemblies"
7:55 pm - 8:05 pm Discussion
8:05 pm - 8:30 pm Ken Merz (University of Florida)
"Protein Structure Determination and Analysis Using Electronic Structure Based NMR Methods"
8:30 pm - 8:40 pm Discussion
8:40 pm - 9:05 pm Homayoun Valafar (University of South Carolina)
"Recovery of High Resolution Structure and Dynamics of Proteins from RDCs"
9:05 pm - 9:15 pm Discussion
9:15 pm - 9:25 pm TBA (Poster Talk)
9:25 pm - 9:30 pm Discussion
THURSDAY
7:30 am - 8:30 am Breakfast
8:30 am - 9:00 am Business Meeting
Nominations for the next Vice Chair; Fill out Conference Evaluation Forms; Discuss future Site & Scheduling preferences; Election of the next Vice Chair
9:00 am - 12:30 pm NMR Guided Ligand Docking and Functional Annotation
Discussion Leader: Alexandre Bonvin (Utrecht University)
9:00 am - 9:25 am Teresa Carlomagno (European Molecular Biology Laboratory-Heidelberg)
"Combining NMR and Structural Modeling in Fragment-Based Drug Design"
9:25 am - 9:35 am Discussion
9:35 am - 10:00 am Julie Mitchell (University of Wisconsin)
"Using NMR and Structural Homologs to Create Conformational Ensembles for Protein Docking"
10:00 am - 10:10 am Discussion
10:10 am Coffee Break
10:40 am - 11:05 am Robert Powers (University of Nebraska)
"FAST-NMR: Functional Annotation Using Chemical Probes"
11:05 am - 11:15 am Discussion
11:15 am - 11:40 am Ichio Shimada (University of Tokyo)
"Drug Development for Membrane Proteins by NMR"
11:40 am - 11:50 am Discussion
11:50 am - 12:05 pm TBA (Poster Talk)
12:05 pm - 12:10 pm Discussion
12:10 pm - 12:25 pm TBA (Poster Talk)
12:25 pm - 12:30 pm Discussion
12:30 pm Lunch
1:30 pm - 4:00 pm Free Time
4:00 pm - 6:00 pm Poster Session
6:00 pm Dinner
7:30 pm - 9:30 pm Challenges in Structure Determination of Large Systems
Discussion Leader: David Cowburn (Albert Einstein College of Medicine)
7:30 pm - 7:55 pm Francesca Marassi (Sanford-Burnham Medical Institute)
"Structure Determination of Membrane Proteins in Membrana"
7:55 pm - 8:05 pm Discussion
8:05 pm - 8:30 pm Jens Meiler (Vanderbilt University)
"Structure Determination of Membrane Proteins from Limited NMR Data"
8:30 pm - 8:40 pm Discussion
8:40 pm - 9:05 pm Gerhard Wagner (Harvard University)
"New Approaches for Studies of Large Proteins"
9:05 pm - 9:15 pm Discussion
9:15 pm - 9:25 pm TBA (Poster Talk)
9:25 pm - 9:30 pm Discussion

 

FRIDAY

7:30 am - 8:30 am Breakfast
9:00 am

 

 

...........(계속)

 

 

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