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eCheminfo InterAction Meeting Session, Philadelphia, 12 October 2005 (proceedings available through website)
Protein Folding, Misfolding & Aggregation: Applications to Disease
chaired by Nikolay V. Dokholyan (University of North Carolina),
eCheminfo 2005 InterAction Meeting, 11-12 October 2005, Philadelphia, USA
Presenters & Discussion Leaders:
Amyloid beta-protein oligomerization and Alzheimer’s disease, David Teplow (David Geffen School of Medicine at UCLA)
Direct observation of protein folding, misfolding and prion-like conformational infectivity, Feng Ding (University of North Carolina)
Catalytic origins of protein misfolding in end-stage renal failure, Andrew Miranker (Yale University)
Detection of Intermediate States of Cell Adhesion Proteins Using Discrete Molecular Dynamics (DMD) Simulations Constrained By Nuclear Magnetic Resonance (NMR) Hydrogen Exchange (HX) Data, Richard Dixon (University of North Carolina)
Approaches to medicine are rapidly changing as we begin to comprehend human disease at the most fundamental molecular level. Much of this change is heralded by a more quantitative and mechanistic understanding of the alterations of molecular structure and dynamics that produce disease. Recent years have brought a dramatic increase in the number of known associations between human disease and abnormalities in protein dynamics and structure. In particular, the number of diseases known to be associated with protein aggregation has increased several-fold. Since protein structure and dynamics are intimately related to protein cellular function, abnormalities in protein folding dynamics and structural stability often adversely affect cell life. Understanding protein folding, misfolding and aggregation will be vital to understanding human diseases, ranging from various forms of cancer to neurodegenerative diseases, and will facilitate the development of therapeutic strategies to combat these diseases.
The focus of the "Protein Folding, Misfolding & Aggregation: Applications to Disease" symposium is to bring together world-class researchers working on both theoretical and experimental fronts of the protein folding field, and have them present recent cutting-edge research results. The emphasis of the symposium is on communication and open discussion, which we hope will lead to new ideas and collaborations.
eCheminfo InterAction Meeting Session, Basel, 9 November 2005 (proceedings available through website)
Protein Folding & Dynamics
chaired by Wilfred van Gunsteren (ETH-Zurich)
eCheminfo 2005 InterAction Meeting, 9-10 November 2005, Basel, Switzerland
Presenters & Discussion Leaders:
Dynamics of Protein Binding, Reaction and Structural Change, Jeremy Smith (University of Heidelberg)
All-atom protein folding with stochastic optimization methods, Wolfgang Wenzel (University of Karslruhe)
Protein Dynamics Measured by Triplet-Triplet Energy Transfer, Thomas Kiefhaber (University of Basel)
Aspects of beta-peptide folding from molecular-dynamics simulation, Xavier Daura (University of Barcelona)
Simple yet Predictive Protein Models, Nikolay V. Dokholyan (University of North Carolina)
Structure determination of native and non-native protein conformations using NMR-derived restraints, Michele Vendruscolo (University of Cambridge)
After decades of largely independent experimental and theoretical work, the field of protein folding is entering a mature age in which the two are converging. Experimental techniques have become sophisticated enough to probe the folding of small, fast-folding proteins and protein elements, while computational power and algorithms have reached a level at which simulating these events is tractable. The central goal for the "Protein folding and dynamics" symposium is to bring together researchers working on both theoretical and experimental fronts of the protein folding field, and have them present recent cutting-edge research results. The emphasis of the symposium is on communication and open discussion, which we hope will lead to new ideas and collaborations.
Posters
All registrants and members are eligible to submit a Poster. Attendees may view and discuss the Posters and leave messages for the authors on the Web site.
Poster Abstracts (of ca. 300 words) with Title, Institution, Authors and Contact Information should be submitted for consideration to echeminfo at douglasconnect.com Conference Posters can be presented as HTML, pdf, Powerpoint or Word documents.
Web-based conference session, May 2005 (Proceedings available on website)
Protein Folding & Misfolding: Applications to Drug Discovery, chaired by Nikolay V. Dokholyan (University of North Carolina) and Marc Fasnacht (Columbia University)
Folding@Home: Using worldwide desktop grid computing to break fundamental
barriers in molecular simulation, Vijay Pande (Stanford University)
Design of a folding inhibitor of the HIV-1 Protease, Guido Tiana (University of Milano)
Simulations of peptide inhibitors of Amyloid-beta fibrillogenesis, Joan-Emma Shea (University of California, Santa Barbara)
Folding and aggregation: A physics-based all-atom modeling, Yong Duan (University of California Davis)
Application of discrete molecular dynamics to protein folding and aggregation, Sergey Buldyrev (Yeshiva University)
Dewetting in nanoscale hydrophobic plates collapse and multi-domain protein folding, Ruhong Zhou (IBM)
Automated Methods for identifying Structural Motifs: Helix Couples in the Globins, Marc Fasnacht (Columbia University)
Reconstructing evasive protein states using NMR and molecular modeling: the Focal Adhesion Kinase story, Nikolay V. Dokholyan (University of North Carolina)
Protein modelling: simulating the thermodynamics and kinetics of protein folding, Jed Pitera (IBM)
Determinants of Functionality in the Ubiquitin Conjugating Enzyme Family, Peter Winn (EMBL, Heidelberg)
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