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COVID-19 has brought us extensive research databases in the fields of biophysics, biology, and bioinformatics. To extract valuable structural bioinformatic information of SARS-CoV-2 structural and nonstructural proteins, it is necessary to work with large-scale datasets of molecular dynamics (MD) trajectories that need to be optimized. This monograph serves as a comprehensive guide to optimization-based MD studies of the molecular structures of SARS-CoV-2 proteins and RNA. The book begins by performing local optimization, taking into account the three-body movement and optimizing the noncovalent bonds of each molecular structure. The optimized structures reach a transition state that offers the best stability and lowest energy. The optimization process utilizes a hybrid strategy that combines mathematical optimization with various local search algorithms. This approach significantly reduces data volume while eliminating irrelevant bioinformatics data. To gain a thorough understanding of molecular stability and the mechanism of action, it is essential to consider not only static NMR, X-ray, or cryo-EM structures but also dynamic information obtained through MD or Quantum Mechanics/Molecular Mechanics (QM/MM) simulations. These simulations capture the internal motions and dynamic processes of molecules. Furthermore, for each protein, the structural bioinformatics obtained from the optimized structure is validated by analyzing large-scale MD trajectory databases, which are openly and freely available online. The analysis includes key structural bioinformatics aspects such as salt bridge electrostatic interactions, hydrogen bonds, van der Waals interactions, and hydrophobic interactions specific to each SARS-CoV-2 molecular structure. The book also delves into discussions on drugs, vaccines, and the origins of the virus. Additionally, pandemic mathematical models, including those incorporating time delays, are explored. This book is particularly valuable for professionals working in practical computing roles within computational biochemistry, computational biophysics, optimization and molecular dynamics, structural bioinformatics, biological mathematics, and related fields. It serves as an accessible introduction to these disciplines and is also an excellent teaching resource for students.
Biomolecules. --- Physical biochemistry. --- Macromolecules. --- Molecular biology. --- Biophysics. --- Proteins. --- Bioinformatics. --- Structural Biology. --- Molecular Biology. --- Molecular Biophysics. --- Protein Biochemistry.
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The current book focuses on Mora de Castilla (Rubus glaucus Benth.). It explores aspects, such as origin, phenology, propagation, floral and fruit morphology, arthropod visitors, pollination mechanisms, propagation methods, chromosome number, fruit development, breeding, morphological diversity, and the impact of climate change. It includes novel data about plant phenology, flowering, insect visitors, seed germination, fruit morphology, and allometric relationships. This work includes an in-depth review of the most recently published information on the topic. Mora de Castilla is an economically important fruit crop from the Andes. It has been crossed with other Rubus species due to its high yield and everbearing habit. Currently, it is an economically important plant. It has been hybridized with other Rubus species producing new and better-quality hybrids This book contains numerous photographs selected by the author to provide the reader with detailed information about the plant´s morphological features and arthropod visitors. .
Botany --- Agriculture. Animal husbandry. Hunting. Fishery --- landbouw --- botanie --- planten --- Botany. --- Agriculture. --- Biomolecules. --- Physical biochemistry. --- Macromolecules. --- Plant Science. --- Structural Biology. --- Science
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Journal of Experimental Biology publishes papers on the form and function of living organisms at all levels of biological organisation, from the molecular and subcellular to the integrated whole animal. It plays a major role in increasing cross-fertilisation of techniques and knowledge across specialisation boundaries. Our authors and readers reflect a broad interdisciplinary group of scientists who study molecular, cellular and organismal physiology in an evolutionarily and environmentally based context.
Biology --- Biology, Experimental --- Biologie --- Biologie expérimentale --- Periodicals --- Périodiques --- Biology. --- Physiology, Comparative. --- #TS:WDEP --- 57 --- Biological sciences in general --- Environmental Sciences --- Biodiversity --- Ecosystems & Ecology --- General and Others --- Life Sciences --- Environmental Sciences. --- General and Others. --- Life Sciences. --- Biologie expérimentale --- Périodiques --- COMBIO-E EJBIOLO EPUB-ALPHA-J EPUB-PER-FT --- Biologie. --- Physiology, Comparative --- Life sciences --- Biomass --- Life (Biology) --- Natural history --- Comparative Physiology --- Biological Sciences. --- biology --- aerobiology --- agricultural sciences --- anatomy and morphology --- behavior --- biochemistry --- biogenesis --- biogeography --- bioinformatics --- biological properties and phenomena --- biomathematics --- botany --- cell biology --- cryobiology --- embryology --- endocrinology --- evolutionary biology --- genetics --- histology --- immunology --- ionomics --- life history --- microbiology --- molecular biology --- mycology --- natural history --- neontology --- nutrition --- organisms --- paleontology --- parasitology --- photobiology --- physiology --- psychology --- sociobiology --- structural biology --- synthetic biology --- taxonomy --- zoology --- biologists --- hematology --- laboratory techniques
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General biophysics --- General biochemistry --- Biophysics --- Molecular Biology --- Biomolecules --- Structure-activity relationships (Biochemistry) --- Biophysique --- Biomolécules --- Relations structure-activité (Biochimie) --- yearbooks. --- periodicals. --- Periodicals. --- Périodiques --- Molecular structure --- Structure-Activity Relationship --- Macromolecular Substances --- Molecular Structure --- Periodicals --- yearbooks --- Biophysics. --- Macromolecular Systems. --- Molecular Biology. --- Molecular Structure. --- Structure-Activity Relationship. --- Biomolecules. --- Molecular structure. --- Biochemistry --- Chemistry, Physical --- Biomedical Engineering --- 577.3 --- 57 --- Biomedical Engineering. --- #TS:KOMA --- Engineering, Biomedical --- Clinical Engineering --- Engineering, Clinical --- Biomedical Technology --- Physical Chemistry --- Chemistries, Physical --- Physical Chemistries --- Structure, Molecular --- Molecular Structures --- Structures, Molecular --- Models, Molecular --- Biochemical Genetics --- Biology, Molecular --- Genetics, Biochemical --- Genetics, Molecular --- Molecular Genetics --- Biochemical Genetic --- Genetic, Biochemical --- Genetic, Molecular --- Molecular Genetic --- Macromolecular Complexes --- Macromolecular Compounds --- Macromolecular Compounds and Complexes --- Complexes, Macromolecular --- Compounds, Macromolecular --- Substances, Macromolecular --- Nanostructures --- Mechanobiology --- Physical and physicochemical bases of life. Biophysics. Biophysical chemistry in general --- Biological sciences in general --- Yearbooks --- Macromolecular systems --- Molecular biology --- Life Sciences --- Micro and Molecular Biology --- Biology --- Genetic Phenomena --- Life Sciences. --- Micro and Molecular Biology. --- 577.3 Physical and physicochemical bases of life. Biophysics. Biophysical chemistry in general --- Macromolecular Substances. --- biochemie --- Macromolecular Systems --- Structure moléculaire --- Structural Biology. --- Biomolécules --- Structure moléculaire --- Périodiques --- Biological physics --- Biological molecules --- Relationship, Structure-Activity --- Relationships, Structure-Activity --- Structure Activity Relationship --- Structure-Activity Relationships --- Chemical structure --- Structural bioinformatics --- Medical sciences --- Physics --- Molecules --- Structure --- Multiprotein Complexes
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