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Molecular Structure Elucidation
Gordon Research Conference

Technologies in Defining Molecular Structure and Function

Dates

August 14-19, 2016

Location

Mount Snow
West Dover, VT

Organizers

Chairs:
Nelu Grinberg & Nina C. Gonnella

Vice Chairs:
Yong Liu & Zheng Ouyang

Meeting Description

In 2016 a new Gordon Research Conference will be launched entitled “Molecular Structure Elucidation”. Consistent with the rich history of the GRC, the program will be comprised of a unique blend of industrial and academic participants, and will include both established and emerging young investigators from around the world. Our GRC offers the podium to dynamic, world recognized lecturers who represent a variety of disciplines with emphasis on structure elucidation and we expect to evolve and stay current in the central science that is structural chemistry. Diverse topics will be presented, that include research in the areas of spectroscopy, protein chemistry, crystallography and chromatography. A session dedicated to emerging topics will also be included (e.g. crystal free crystallography, drug-conjugate structures, biomarkers, and structural imaging). In addition to the oral lecture program, a series of energizing poster sessions will be featured. Attendees are encouraged to submit posters; Vice Chair Dr. Yong Liu will organize the poster sessions.

The conference will take place at the Mount Snow Resort located in Southern Vermont’s Deerfield Valley. This picturesque area is home to the valley towns of Dover, Wilmington, and Whitingham. The Mount Snow Resort is easily accessible from New York (3 1/2 hours), Boston (3 hours) and Hartford (2 hrs). In this beautiful environment, attendees may enjoy many outdoor recreational activities (mountain biking, fishing (lessons available), golf, swimming in pristine lakes, volleyball, hiking, kayaking, canoeing, etc.). Programmed sessions and informal gatherings in the afternoon and evening will allow scientists from various disciplines to enjoy the richness of scientific discussion and develop professional relations not easily made in other venues.

Contributors

Final 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 pmBiomolecular Processes
Discussion Leader: Gary Martin (Merck Research Laboratories, USA)
7:40 pm - 7:50 pmOpening Remarks
7:50 pm - 8:05 pmIntroduction by Discussion Leader
8:05 pm - 8:55 pmThomas Steitz (Howard Hughes Medical Institute / Yale University, USA)
"How Various Protein Factors Assist and Enable the Ribosome to Function as a Protein Synthesis Machine"
8:55 pm - 9:15 pmDiscussion
9:15 pm - 9:30 pmGeneral Discussion
Monday
7:30 am - 8:30 amBreakfast
9:00 am - 12:30 pmProtein Structure
Discussion Leader: Nina Berova (Columbia University, USA)
9:00 am - 9:15 amIntroduction by Discussion Leader
9:15 am - 9:45 amIrina Gutsche (CNRS, France)
"Cryo-Electron Microscopy: Measles Unwrapped"
9:45 am - 10:00 amDiscussion
10:00 am - 10:30 amTimothy Keiderling (University of Illinois at Chicago, USA)
"Protein Folding Starting from the Ground Up. Thermodynamic and Kinetic Spectroscopic Studies of Peptides and Proteins with Increasing Complexity"
10:30 am - 10:45 amDiscussion
10:45 am - 11:15 amCoffee Break
11:15 am - 11:45 amPrasad Polavarapu (Vanderbilt University, USA)
"Chiroptical Spectroscopy for Molecular Structure Determination"
11:45 am - 12:00 pmDiscussion
12:00 pm - 12:15 pmJingke Weng (Whitehead Institute for Biomedical Research, USA)
"Thiol-Based Redox Switch in Plant Flavonoid Biosynthesis"
12:15 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 Dynamics
Discussion Leader: Gaetano Montelione (Rutgers University, USA)
7:30 pm - 7:35 pmIntroduction by Discussion Leader
7:35 pm - 8:05 pmPeter Wright (The Scripps Research Institute, USA)
"Structure, Dynamics and Interactions of Proteins"
8:05 pm - 8:15 pmDiscussion
8:15 pm - 8:45 pmMei Hong (Massachustts Institute of Technology, USA)
"Solid-State NMR Investigations of Membrane Protein Structure, Dynamics and Mechanism of Action"
8:45 pm - 8:55 pmDiscussion
8:55 pm - 9:25 pmDorothee Kern (Howard Hughes Medical Institute / Brandeis University, USA)
"The Choreography of a Protein's Dance: Excursions In Silico and In Proteo"
9:25 pm - 9:30 pmDiscussion
Tuesday
7:30 am - 8:30 amBreakfast
8:30 amGroup Photo
9:00 am - 12:30 pmComputational Chemistry in Structural Elucidation
Discussion Leader: Roy Helmy (Merck Research Laboratories, USA)
9:00 am - 9:15 amIntroduction by Discussion Leader
9:15 am - 9:45 amWilliam Jorgensen (Yale University, USA)
"Drug Lead Optimization Facilitated by Computation and Protein Crystallography"
9:45 am - 10:00 amDiscussion
10:00 am - 10:30 amGaetano Montelione (Rutgers University, USA)
"Hybrid Approaches for Protein Structure Determination Combining Computational Modeling with Sparse NMR Restraints"
10:30 am - 10:45 amDiscussion
10:45 am - 11:15 amCoffee Break
11:15 am - 11:45 amKendall Houk (University of California, Los Angeles, USA)
"Transition State Structure and Organic Reaction Dynamics"
11:45 am - 12:00 pmDiscussion
12:00 pm - 12:15 pmAndrew Proudfoot (Novartis Institutes for BioMedical Research, USA)
"NMR Guided Protein-Small Molecule Docking to Enable High Confidence Complex Modeling and Early Hit Optimization"
12:15 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 pmAdvances in Crystallography
Discussion Leader: Shyam Vyas (Cambridge Crystallographic Data Centre, USA)
7:30 pm - 7:40 pmIntroduction by Discussion Leader
7:40 pm - 8:10 pmMakoto Fujita (University of Tokyo, Japan)
"Crystalline Sponge Method: X-Ray Analysis Without Crystallization on the Nano-Gram to Microgram Scale"
8:10 pm - 8:25 pmDiscussion
8:25 pm - 8:55 pmIan Wilson (Scripps Research Institute, USA)
"X-Ray Structures of Viral Antigens and Neutralizing Antibodies: Implications for Vaccine Design"
8:55 pm - 9:10 pmDiscussion
9:10 pm - 9:30 pmGeneral Discussion
Wednesday
7:30 am - 8:30 amBreakfast
9:00 am - 12:30 pmMass Spectrometry in Biological/Biomarker Characterization
Discussion Leader: Sue Pan (Bristol-Myers Squibb, USA)
9:00 am - 9:10 amIntroduction by Discussion Leader
9:10 am - 10:00 amGraham Cooks (Purdue University, USA)
"Molecular Pathology Using Lipid and Oncometabolite Profiles in Mass Spectrometry"
10:00 am - 10:20 amDiscussion
10:20 am - 10:50 amCoffee Break
10:50 am - 11:20 amJohn Engen (Northeastern University, USA)
"Hydrogen Exchange Mass Spectrometry to Probe the Conformation of Proteins Both in Solution and in Membranes"
11:20 am - 11:35 amDiscussion
11:35 am - 12:05 pmJulia Laskin (Pacific Northwest National Laboratory, USA)
"Quantification and Matrix Effects in Mass Spectrometry Imaging"
12:05 pm - 12:20 pmDiscussion
12:20 pm - 12:30 pmGeneral Discussion
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 pmSeparation Sciences
Discussion Leader: Wes Schafer (Merck Research Laboratories, USA)
7:30 pm - 7:35 pmIntroduction by Discussion Leader
7:35 pm - 8:05 pmAttila Felinger (University of Pecs, Hungary)
"Characterization of Supra-Molecular Interactions with Chromatography"
8:05 pm - 8:15 pmDiscussion
8:15 pm - 8:45 pmBezhan Chankvetadze (Tbilisi State University, Georgia)
"Elucidation of Structure of Selector-Selectand Associates Related to Separation of Enantiomers in Capillary Electrophoresis"
8:45 pm - 8:55 pmDiscussion
8:55 pm - 9:25 pmGuowang Xu (Dalian Institute of Chemical Physics, Chinese Academy of Sciences, China)
"Novel Pretreatment and Separation Methods for Trace Bio-Small Molecules"
9:25 pm - 9:30 pmDiscussion
Thursday
7:30 am - 8:30 amBreakfast
9:00 am - 12:30 pmPharmaceutical Applications
Discussion Leader: Dorothee Kern (Howard Hughes Medical Institute / Brandeis University, USA)
9:00 am - 9:15 amIntroduction by Discussion Leader
9:15 am - 9:45 amMark Strohmeier (Vertex Pharmaceuticals, USA)
"Tools to Uncover Structure-Property Relationships - From Molecules to Materials to Medicines"
9:45 am - 10:00 amDiscussion
10:00 am - 10:30 amMichael Kress (Merck Research Laboratories, USA)
"Pharmaceutical Process and Analytical Chemistry: Continuing Woodward's Fantastical Efflorescence of Chemistry"
10:30 am - 10:45 amDiscussion
10:45 am - 11:15 amCoffee Break
11:15 am - 11:45 amGary Martin (Merck Research Laboratories, USA)
"Cryptospirolepine: The Evolution of NMR Capabilities and Revision of the Structure of a Complex Cryptolepis Alkaloid"
11:45 am - 12:00 pmDiscussion
12:00 pm - 12:20 pmDavid Bell (MilliporeSigma, USA)
"Hydrophilic Interaction Liquid Chromatography: A Form of Supramolecular Chemistry with Multiple Applications"
12:20 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 pmMicroscale Structural Analysis
Discussion Leader: Roger Kautz (Northeastern University, USA)
7:30 pm - 7:40 pmIntroduction by Discussion Leader
7:40 pm - 8:10 pmMarcel Jaspars (University of Aberdeen, United Kingdom)
"The Determinator – Building a Device to Solve Small Molecule Structures Using AFM in Combination with Computation"
8:10 pm - 8:25 pmDiscussion
8:25 pm - 8:55 pmAaron Lewis (Nanonics Imaging, Ltd., Israel)
"Hybrid AFM Based Methods for Nanometric Structural Correlation with Super-Resolution Optically Based Chemical Characterization"
8:55 pm - 9:10 pmDiscussion
9:10 pm - 9:30 pmGeneral Discussion
Friday
7:30 am - 8:30 amBreakfast
9:00 amDeparture
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