Divided into five major parts, the two volumes of this ready reference cover the tailoring of theoretical methods for biochemical computations, as well as the many kinds of biomolecules, reaction and transition state elucidation, conformational flexibility determination, and drug design. Throughout, the chapters gradually build up from introductory level to comprehensive reviews of the latest research, and include all important compound classes, such as DNA, RNA, enzymes, vitamins, and heterocyclic compounds. The result is in-depth and vital knowledge for both readers already working in the field as well as those entering it. Includes contributions by Prof. Ada Yonath (Nobel Prize in Chemistry 2009) and Prof. Jerome Karle (Nobel Prize in Ch...
Nature has developed large groups of enzymatic catalysts with the aim to transfer substrates into us...
Progress in developing quantum chemical calculations that describe complex atomic systems has applic...
One of the most promising suggested applications of quantum computing is solving classically intract...
This review explores the potential of quantum chemistry to help understand complex biochemical react...
Understanding the rules of life is one of the most important scientific endeavours and has revolutio...
Th e text begins with an investigation of thermodynamics, the study of the transformationsof energy,...
Our understanding of the physics of biological molecules, such as proteins and DNA, is limited becau...
The major goals of quantum chemistry include increasing the accuracy of the results for small molecu...
In this work we show that structure-activity relationship studies are of great importance in modern ...
Quantum chemistry employs techniques in mathematics, physics and chemistry to understand the behavio...
CONSPECTUS: Quantum mechanics (QM) has revolutionized our understanding of the structure and reactiv...
Item does not contain fulltextThis work outlines a new on-line database of quantum calculations for ...
University of Minnesota Ph.D. dissertation. 2014. Major: Scientific Computation. Advisor: Darrin Yor...
In this thesiss everal aspects of different methods of theoretical chemistry are investigated. The b...
Chemical biology utilizes chemical principles to modulate systems to either investigate the underlyi...
Nature has developed large groups of enzymatic catalysts with the aim to transfer substrates into us...
Progress in developing quantum chemical calculations that describe complex atomic systems has applic...
One of the most promising suggested applications of quantum computing is solving classically intract...
This review explores the potential of quantum chemistry to help understand complex biochemical react...
Understanding the rules of life is one of the most important scientific endeavours and has revolutio...
Th e text begins with an investigation of thermodynamics, the study of the transformationsof energy,...
Our understanding of the physics of biological molecules, such as proteins and DNA, is limited becau...
The major goals of quantum chemistry include increasing the accuracy of the results for small molecu...
In this work we show that structure-activity relationship studies are of great importance in modern ...
Quantum chemistry employs techniques in mathematics, physics and chemistry to understand the behavio...
CONSPECTUS: Quantum mechanics (QM) has revolutionized our understanding of the structure and reactiv...
Item does not contain fulltextThis work outlines a new on-line database of quantum calculations for ...
University of Minnesota Ph.D. dissertation. 2014. Major: Scientific Computation. Advisor: Darrin Yor...
In this thesiss everal aspects of different methods of theoretical chemistry are investigated. The b...
Chemical biology utilizes chemical principles to modulate systems to either investigate the underlyi...
Nature has developed large groups of enzymatic catalysts with the aim to transfer substrates into us...
Progress in developing quantum chemical calculations that describe complex atomic systems has applic...
One of the most promising suggested applications of quantum computing is solving classically intract...