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Professionals recognize entropy-enthalpy compensation as an
important factor in molecular recognition, lead design, water
networks, and protein engineering. It can be experimentally studied
by proper combinations of diverse spectroscopic approaches with
isothermal titration calorimetry and is clearly related to
molecular dynamics. So, how should we treat entropy-enthalpy
compensation? Is it a stubborn hindrance that solely complicates
the predictability of phenomena otherwise laid on the line by
Mother Nature? How should we then deal with it? This book dwells on
these posers. It combines two chapters written by globally
recognized specialists. Chapter 1 deals with general issues and
suggests a definite approach to how we may answer the posers.
Chapter 2 shows how the approach outlined might be successfully
applied in a rational design of enzymes. This might provide other
interesting strategic perspectives in the general theoretical
physical chemistry field.
This book provides an introduction to optical anisotropy (linear
dichroism, LD) and optical activity (circular dichroism, CD) as
techniques for the study of structures and interactions of
molecules in solution. The book covers the use of these techniques
for both small and large molecular systems with particular emphasis
being placed on proteins and nucleic acids. CD is a
well-established technique and this book aims to explain how it can
be used simply and effectively for new entrants to the field as
well as covering more advanced techniques for experts. LD is often
seen as a rather exotic method intended only for experienced
spectroscopists. This book demonstrates that it is an approach with
real utility that may be used by both students and scientists from
graduate level onwards to give simple answers, which are not
available from any other technique, to structural and kinetic
questions. Much of the emphasis is on flow orientation of samples
in solution phase. The book first describes the techniques and the
information they can provide; it then goes on to give specific
details on how to actually implement them, including a wide range
of examples showing how LD and CD can help with * protein and
nucleic acid secondary structure elucidation; * analysis of the
formation and rearrangements of fibrous proteins and membrane
proteins; * identification of the absolute configuration of small
molecules; * determination of the orientation of small molecules in
anisotropic media; * assignment of transition moment polarizations;
* investigation of binding strengths and geometries of
ligand-macromolecule complexes; * 3-D structure determination from
LD, molecular replacement and MD modeling. The advantages of
combined LD/CD studies are also outlined with examples of DNA/drug
complexes and protein insertion into membranes. Taken together the
book represents a comprehensive text on the theory and application
of LD and CD in the chemical and biological sciences.
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