Areas | |
---|---|
Serie de libros (93) |
1310
|
Letra |
2297
|
Ciencias Naturales |
5355
|
Matemática | 224 |
Informática | 313 |
Física | 975 |
Química | 1354 |
Geociencias | 131 |
Medicina humana | 242 |
Estomatología | 10 |
Veterinaria | 100 |
Farmacia | 147 |
Biología | 830 |
Bioquímica, biología molecular, tecnología genética | 117 |
Biofísica | 25 |
Nutrición | 44 |
Agricultura | 996 |
Silvicultura | 201 |
Horticultura | 20 |
Ecología y conservación de la tierra | 145 |
Ciencias Ingeniería |
1747
|
General |
91
|
Leitlinien Unfallchirurgie
5. Auflage bestellen |
Lectura de prueba, PDF (130 KB)
Indice, PDF (51 KB)
In order to improve knowledge on macromolecular structural formation and self-assembly, this work proposes a physics-based and data-driven multiscale modeling framework capable of describing structural formation on micro-meter and milli-second scales near molecular-level precision. The framework abstracts macromolecules as anisotropic unit objects and models the interactions and environment using data-driven approaches. The models are parameterized in a bottom-up fashion and validated top-down by comparison with literature and collaborator data for self-assembly of three model system: alginate gelation, hepatitis B virus capsids, and the pyruvate dehydrogenase complex.
ISBN-13 (Impresion) | 9783736979727 |
ISBN-13 (E-Book) | 9783736969728 |
Idioma | Inglés |
Numero de paginas | 296 |
Laminacion de la cubierta | mate |
Edicion | 1. |
Serie | SPE-Schriftenreihe |
Volumen | 25 |
Lugar de publicacion | Göttingen |
Lugar de la disertacion | TU Hamburg |
Fecha de publicacion | 27.02.2024 |
Clasificacion simple | Tesis doctoral |
Area |
Bioquímica, biología molecular, tecnología genética
Biofísica Ingeniería mecánica y de proceso |
Palabras claves | multiscale modeling, molecular modeling, Molecular Discrete Element Method, MDEM, Discrete Element Method, DEM, coarse-graining, Molecular Dynamics, MD, Langevin dynamics, machine learning, ML, supervised learning, Kriging, macromolecular self-assembly, structural formation simulation, anisotropic macromolecules, assembly pathways, assembly kinetics, molecular collisions, 6D intermolecular interaction potentials, specialized force-fields, molecular binding, bonded interaction, hepatitis B core antigen, HBcAg, capsid formation, virus-like particles, VLP, pyruvate dehydrogenase complex, PDC, alginate, alginic acid, biopolymer, gelation, gel, aerogel, porous nanomaterial, anisotropic diffusion, ion binding model, calcium, proteins, enzymes, multi-enzymatic biocatalysis, metabolic channeling, high performance computing, HLRS, GPU implementation, MUSEN |