Biomolecular Simulations : Methods and Protocols /
| Autor Corporativo: | |
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| Otros Autores: | , |
| Formato: | eBook |
| Lenguaje: | English |
| Publicado: |
New York, NY :
Springer New York : Imprint: Humana,
2019.
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| Edición: | 1st ed. 2019. |
| Colección: | Methods in Molecular Biology,
2022 |
| Materias: |
Tabla de Contenidos:
- Atomistic Force Fields for Proteins
- Force Fields for Small Molecules
- Improvement of RNA Simulations with Torsional Revisions of the AMBER Force Field
- Quantum Chemical and QM/MM Models in Biochemistry
- A Practical View of the Martini Force Field
- Using SMOG 2 to Simulate Complex Biomolecular Assemblies
- Replica Exchange Methods for Biomolecular Simulations
- Metadynamics to Enhance Sampling in Biomolecular Simulations
- Protein-Ligand Binding Free Energy Calculations with FEP+
- Ligand Binging Calculations with Metadynamics
- The Adaptive Path Collective Variable - A Versatile Biasing Approach to compute the Average Transition Path and Free Energy of Molecular Transitions
- Google-Accelerated Biomolecular Simulations
- A Practical Guide to the Simultaneous Determination of Protein Structure and Dynamics using Metainference
- Inferring Structural Ensembles of Flexible and Dynamic Macromolecules using Bayesian, Maximum Entropy, and Minimal-Ensemble Refinement Methods
- Modeling Biological Complexes using Integrative Modeling Platform
- Co-Evolutionary Analysis of Protein Sequences for Molecular Modeling
- Coarse Graining of a Giant Molecular System: The Chromatin Fiber
- Analyzing Biomolecular Ensembles
- Using Data-Reduction Techniques to Analyze Biomolecular Trajectories
- Analysis Libraries for Molecular Trajectories: A Cross-Language Synopsis
- Analyzing and Biasing Simulations with PLUMED.