TY - BOOK AU - Becker, Oren M. AU - Karplus, Martin TI - A Guide to Biomolecular Simulation SN - 9781402035869 U1 - 571.4 PY - 2006/// CY - Netherlands PB - Springer KW - Molecular dynamics -- Mathematical models KW - Biomolecules -- Mathematical models. KW - Molecular biology -- Research N1 - Introduction: Note to the Student; Introduction: Note to the Instructor; Introduction: UNIX; Introduction: CHARMM Primer; Introduction: CHARMM Template Files; Lab 1: Introduction to Molecular Visualization; Lab 2: Energy and Minimization; Lab 3: Minimization and Analysis; Lab 4: Conformational Analysis; Lab 5:Basic Molecular Dynamics in Vacuum and in Solution; Lab 6: Molecular Dynamics and Analysis: Myoglobin; Lab 7: Ligand Dynamics in Myoglobin; Lab 8: Normal Mode Analysis; Lab 9: Free Energy Calculations; Lab 10: Minimum Energy Paths; Lab 11: Multiple Copy Simultaneous Search; Lab 12: Hemoglobin Cooperativity: the T-R transition ER -