Title | Molecular Modeling of Proteins [electronic resource] / edited by Andreas Kukol |
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Imprint | New York, NY : Springer New York : Imprint: Humana Press, 2015 |
Edition | 2nd ed. 2015 |
Connect to | http://dx.doi.org/10.1007/978-1-4939-1465-4 |
Descript | X, 474 p. 104 illus., 53 illus. in color. online resource |
Molecular Dynamics Simulations -- Transition Path Sampling with Quantum/Classical Mechanics for Reaction Rates -- Current Status of Protein Force Fields for Molecular Dynamics Simulations -- Lipid Membranes for Membrane Proteins -- Molecular Dynamics Simulations of Membrane Proteins -- Membrane-Associated Proteins and Peptides -- Coarse-Grained Force Fields for Molecular Simulations -- Tackling Sampling Challenges in Biomolecular Simulations -- Calculation of Binding Free Energies -- The Use of Experimental Structures to Model Protein Dynamics -- Computing Ensembles of Transitions with Molecular Dynamics Simulations -- Accelerated Molecular Dynamics and Protein Conformational Change: A Theoretical and Practical Guide Using a Membrane Embedded Model Neurotransmitter Transporter -- Simulations and Experiments in Protein Folding -- Comparative Modeling of Proteins -- De Novo Membrane Protein Structure Prediction -- NMR-Based Modeling and Refinement of Protein 3D Structures -- Methods for Predicting Protein Ligand Binding Sites -- Information-Driven Structural Modelling of Protein-Protein Interactions -- Identifying Putative Drug Targets and Potential Drug Leads: Starting Points for Virtual Screening and Docking -- Molecular Docking to Flexible Targets