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Computational Chemistry: Introduction to the Theory and Applications of Molecular and Quantum Mechanics (Errol G. Lewars)
Molecular Modelling for Beginners (Alan Hinchliffe)
Chemoinformatics: A Textbook (Johann Gasteiger & Thomas Engel)
Molecular Dynamics Simulation: Elementary Methods (J.M. Haile)
Understanding Molecular Simulation: From Algorithms to Applications (Daan Frenkel & Berend Smit)
Proteins: Structure and Function (David Whitford)
Introduction to Bioinformatics (Arthur Lesk)
NAMD Tutorials
GROMACS Tutorials
Bioinformatics: Sequence and Genome Analysis (David W. Mount)
Essentials of Computational Chemistry (Christopher J. Cramer)
The Handbook of Chemoinformatics Algorithms (Jean-Loup Faulon, Andreas Bender)
Chemoinformatics for Drug Discovery (Jürgen Bajorath)
Introduction to Computational Chemistry (Frank Jensen)
Molecular Modelling: Principles and Applications (Andrew R. Leach)