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Molecular Modelling : Principles and Applications

DAFTAR ISI

1 Useful concepts in molecular modelling 1-24

2 An introduction to computational quantum mechanics 26-105

  • CodeCallNoLokasiKetersediaan
    01021010500037Tersedia
  • Perpustakaan
    Fakultas Farmasi
    Judul Seri
    -
    No. Panggil
    541.2-3 Lea M
    Penerbit Pearson Education Limited : England.,
    Deskripsi Fisik
    ed.2-cet.1. xxiii, 744 hal. : ilus. ; 24,5 cm Inde
    Bahasa
    Indonesia
    ISBN/ISSN
    0582-38210-6
    Klasifikasi
    541.2-3 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
  • DAFTAR ISI

    1 Useful concepts in molecular modelling 1-24

    2 An introduction to computational quantum mechanics 26-105

    3 Advanced ab initio methods, density functional tehory and solid-state quantum mechanis 108-162

    4 Empirical force field modls: molecular mechanics 165-247

    5 Energy minimisation and related methods for exploring the energy surface 253-301

    6 Computer simulation methods 303-351

    7 Molecular dynamics simulation methods 353-406

    8 Monte Carlo simulation methods 410-454

    9 Conformational analysis 457-506

    10 Protein structure prediction, sequence analysis and protein folding 509-558

    11 Four challenges in molecular modelling: free energies, solvation, reactions and solid-state defects 563-633

    12 The use of molecular modelling and chemoinformatics to discover and desigm new molecules 640-720

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