Description The papers in this volume are from the workshop on Protein Flexibility and Folding held in Traverse City, Michigan from
August 13 - 17, 2000. The purpose of the workshop was to bring together diverse people interested in protein folding and flexibility
from theoretical, computational and experimental perspectives and to encourage discussion on new approaches and challenges in the field.
The workshop was held in the Park Plaza Hotel with 43 participants, including 24 invited speakers. The small size of the group made for
easy exchanges, and many of the presentations by the invited speakers appear in this volume. There was also a very lively poster session.
The three-day workshop was organized so that the first day covered Flexibility and Dynamics, the second day Folding
and Unfolding, and the third day Evolution and Design. This area of science is particularly appealing as it
spans a range of questions from very fundamental - as to how proteins fold in such short times with such reliability - to applications
such as the role of flexibility in screening for new ligands to a protein. Protein flexibility and folding have attracted the attention
of scientists from many disciplines, ranging from mathematics to molecular biology. The scientists at the workshop represented the breadth
of challenges in theory and applications that keep this field so fascinating and dynamic.
The present volume is organized along these
same lines.
Audience
For scientists interested in protein folding and flexibility from theoretical, computational and experimental perspectives, including
chemists involved in molecular modelling, molecular biologists, computational chemists, protein and polymer engineers and pharmaceutical
scientists.
Contents
Flexibility and Dynamics.
Applications of NMR for the characterization of protein dynamics and folding
(C. Bracken).
Observation and simulation to study mechanical properties of proteins
(B. Isralewitz et al.).
Intrinsically disordered proteins
(A.K. Dunker et al.).
Predicting flexibility in proteins using constraint theory (M.F. Thorpe et al.).
Structure
and dynamics of 6-hydroxymethyl-7, 8-dihydropterin pyrophosphokinase
(H. Yan et al.).
Sampling activated mechanisms in proteins
with the activation-relaxation technique
(N. Mousseau et al.).
Folding and Unfolding.
Constructing smooth
potential functions for protein folding (G.M. Crippen).
Hydrogen exchange and protein folding
(C. Woodward et al.).
Structural
transitions in neutral and charged proteins in vacuo (G.A. Arteca, O. Tapia).
Capture and identification of folding intermediates
of cystinyl proteins
(J. Throck Watson et al.).
Solid state NMR studies of membranes and membrane-bound systems (J. Yang et al.).
Molecular simulations and acid-induced protein unfolding (W. Cornell et al.).
Molecular dynamics simulations
on protein folding and protein structure prediction
(P. Kollman).
Evolution and Design.
Evolutionary perspectives on
protein folding and stability
(P.D. Williams et al.).
The designability of protein structures
(R. Helling et al.).
Comparing protein structures: a Gaussain-based approach to the three-dimensional similarity of proteins
(G.M. Maggiora et al.).
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