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 Molecular Modeling of Proteins  Second Edition Andreas Kukol in pdf


Free download book  of Molecular Modeling of Proteins  Second Edition in pdf written By Andreas Kukol published, 2015 book in English language of professors of  science faculties  universities  .
   
Contents


PART I SIMULATION METHODS
1 Molecular Dynamics Simulations
2 Transition Path Sampling with Quantum/Classical Mechanics
for Reaction Rates
3 Current Status of Protein Force Fields for Molecular
Dynamics Simulations 
4 Lipid Membranes for Membrane Proteins 
5 Molecular Dynamics Simulations of Membrane Proteins
6 Membrane-Associated Proteins and Peptides 
7 Coarse-Grained Force Fields for Molecular Simulations
8 Tackling Sampling Challenges in Biomolecular Simulations 
9 Calculation of Binding Free Energies
PART II CONFORMATIONAL CHANGE
10 The Use of Experimental Structures to Model Protein Dynamics
11 Computing Ensembles of Transitions with Molecular
Dynamics Simulations 
12 Accelerated Molecular Dynamics and Protein Conformational
Change: A Theoretical and Practical Guide Using a Membrane
Embedded Model Neurotransmitter Transporter.
13 Simulations and Experiments in Protein Folding
PART III PROTEIN STRUCTURE DETERMINATION
14 Comparative Modeling of Proteins 
15 De Novo Membrane Protein Structure Prediction
16 NMR-Based Modeling and Refinement of Protein 3D Structures 
PART IV PROTEIN–LIGAND INTERACTIONS
17 Methods for Predicting Protein–Ligand Binding Sites .
18 Information-Driven Structural Modelling of Protein–Protein Interactions .
19 Identifying Putative Drug Targets and Potential Drug Leads:
Starting Points for Virtual Screening and Docking .
20 Molecular Docking to Flexible Targets.
Information about the book

File Format:PDF

Number of chapters: 20 chapters


Number of pages: 485 pages


File Size: 20,00MB

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