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Molecular Modelling : Principles and Applications

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• Code	CallNo	Lokasi	Ketersediaan
  01021010500033			Tersedia

• Perpustakaan	Fakultas Farmasi
  Judul Seri	-
  No. Panggil	541.2-1 Lea M
  Penerbit	Pearson Education Limited : England., 2001
  Deskripsi Fisik	ed.2-cet.1. xxiii, 744 hal. : ilus. ; 24,5 cm Inde
  Bahasa	Indonesia
  ISBN/ISSN	0582-38210-6
  Klasifikasi	541.2-1 Lea M
  Tipe Isi	-
  Tipe Media	-
  Tipe Pembawa	-
  Edisi	NULL
  Subyek	Molecular Structure-Computer Simulation Molecules-Models-Computer Simulation Leach, Andrew
  Info Detil Spesifik	-
  Pernyataan Tanggungjawab	NULL

• The new edition provides background theory in the techniques of molecular modeling, illustrated with applications from the physical, chemical and biological sciences. It includes simple numerical examples, numerous explanatory figures and a colour plate section. This book divide to 12 chapter. Chapter 1 is useful concepts in molecular modeling. Chapter 2 is an introduction to computational quantum mechanics. Chapter 3 is advanced ab initio methods, density functional theory and solid-state quantum mechanics. Chapter 4 is empirical force field models: molecular mechanics. Chapter 5 is energy minimization and related methods for exploring the energy surface. Chapter 6 is computer simulation methods. Chapter 7 is molecular dynamics simulation methods. Chapter 8 is monte carlo simulation methods. Chapter 9 is conformational analysis. Chapter 10 is protein structure prediction, sequence analysis and protein folding. Chapter 11 is four challenges in molecular modeling: free energies, solvation, reactions and solid-state defects. Chapter 12 is the use of molecular modeling and chemoinformatics to discover and design new molecules.

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