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Over the past 40 years the field of molecular simulations has evolved from picosecond studies of isolated macromolecules in vacuum to studies of complex, chemically heterogeneous biological systems consisting of millions of atoms, with the simulation time scales spanning up to milliseconds. In Biomolecular Simulations: Methods and Protocols, expert researchers illustrate many of the methods commonly used in molecular modelling of biological systems, including methods for electronic structure calculations, classical molecular dynamics simulations and coarse-grained techniques. A selection of advanced techniques and recent methodological developments, which rarely find coverage in traditional ...
This is an valuable introduction to medicinal chemistry for new graduates and PhDs. It will also serve to update more experienced scientists on the newer technologies in the field.
Methods in Educational Research Methods in Educational Research is designed to prepare students for the real world of educational research. It focuses on scientifically-based methods, school accountability, and the professional demands of the twenty-first century, empowering researchers to take an active role in conducting research in their classrooms, districts, and the greater educational community. Like the first edition, this edition helps students, educators, and researchers develop a broad and deep understanding of research methodologies. It includes substantial new content on the impact of No Child Left Behind legislation, school reform, quantitative and qualitative methodologies, log...
The topics covered by this volume include: protein destabilization at low temperatures; engineering the stability and function of Gene V Protein; free energy balance in protein folding; modelling protein stability as a heteropolymer collapse; stability of alpha helices; protein stability with T4 Lysozyme.
Summarizing the emerging field of N-heterocyclic carbenes used in organocatalysis, this is an excellent overview of the synthesis and applications of NHCs focusing on carbon-carbon and carbon-heteroatom bond formation. Alongside comprehensive coverage of the synthesis, characteristics and applications, this handbook and ready reference also includes chapters on NHCs for polymerization reactions and natural product synthesis.
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