000			01902 a2200205 4500
020			_a9781782627005
040			_cIIT Kanpur
041			_aeng
082			_a572.0285 _bC738
245			_aComputational tools for chemical biology _cedited by Sonsoles Martin-Santamaria
260			_bRoyal Society of Chemistry _c2018 _aLondon
300			_axiv, 377p
440			_aChemistry biology
490			_a/ edited by Tom Brown
520			_aThe rapid development of efficient computational tools has allowed researchers to tackle biological problems and to predict, analyse and monitor, at an atomic level, molecular recognition processes. This book offers a fresh perspective on how computational tools can aid the chemical biology research community and drive new research.Chapters from internationally renowned leaders in the field introduce concepts and discuss the impact of technological advances in computer hardware and software in explaining and predicting phenomena involving biomolecules, from small molecules to macromolecular systems. Important topics from the understanding of biomolecules to the modification of their functions are addressed, as well as examples of the application of tools in drug discovery, glycobiology, protein design and molecular recognition. Not only are the cutting-the-edge methods addressed, but also their limitations and possible future development.For anyone wishing to learn how computational chemistry and molecular modelling can provide information not easily accessible through other experimental methods, this book will be a valuable resource. It will be of interest to postgraduates and researchers in the biological and chemical sciences, medicinal and pharmaceutical chemistry, and theoretical chemistry.
650			_aBiology -- Chemistry
650			_aComputational tools -- Biology.
700			_aMartin-Santamaria, Sonsoles [ed.]
942			_cBK
999			_c558372 _d558372