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Advances in Metabolomics / / edited by Vijai Singh
| Advances in Metabolomics / / edited by Vijai Singh |
| Autore | Singh Vijai |
| Edizione | [1st ed. 2024.] |
| Pubbl/distr/stampa | Singapore : , : Springer Nature Singapore : , : Imprint : Springer, , 2024 |
| Descrizione fisica | 1 online resource (397 pages) |
| Disciplina | 570.28 |
| Soggetto topico |
Biology - Technique
Biology Molecular probes Artificial intelligence Molecules - Models Biological Techniques Biological Sciences Biological Sensors and Probes Artificial Intelligence Molecular Modelling |
| ISBN |
9789819774593
9819774594 |
| Formato | Materiale a stampa  |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | 1. Current approaches on metabolomics -- 2. Applications of computational and data sciences in metabolomics -- 3. Design of biosynthetic pathway for production of metabolites -- 4. Dissecting Cellular Heterogeneity: Single-Cell Metabolomics for Unmasking Hidden Variations -- 5. Biosensors for Detection of Metabolites -- 6. Unveiling the Molecular Fingerprint: Mass Spectrometry in Metabolomics -- 7. Utilizing HPLC for Efficient Metabolite Purification -- 8. NMR Spectroscopy for Characterisation of Metabolite -- 9. Transcriptional control for metabolite production -- 10. Microfluids in metabolites detection, production, and optimization -- 11. Cell free systems in metabolomics -- 12. Unlocking the Metabolome: A Guide to Genome Editing for Precision Control of Cellular Chemistry -- 13. Production and Fermentation Optimization of Flavour and Fragrance Molecules -- 14. Bioprocessing and Purification of Metabolites -- 15. Scaling Up Nature's Chemistry: A Guide to Industrial Production of Valuable Metabolites -- 16. Regulatory, economic and educational issues in metabolomics. |
| Record Nr. | UNINA-9910917791403321 |
Singh Vijai
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| Singapore : , : Springer Nature Singapore : , : Imprint : Springer, , 2024 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Current Trends in Computational Modeling for Drug Discovery / / edited by Supratik Kar, Jerzy Leszczynski
| Current Trends in Computational Modeling for Drug Discovery / / edited by Supratik Kar, Jerzy Leszczynski |
| Autore | Kar Supratik |
| Edizione | [1st ed. 2023.] |
| Pubbl/distr/stampa | Cham : , : Springer International Publishing : , : Imprint : Springer, , 2023 |
| Descrizione fisica | 1 online resource (311 pages) |
| Disciplina |
541.2
615.19 |
| Altri autori (Persone) | LeszczyńskiJerzy |
| Collana | Challenges and Advances in Computational Chemistry and Physics |
| Soggetto topico |
Drugs - Design
Molecules - Models Chemistry - Data processing Pharmaceutical chemistry Pharmacology Structure-Based Drug Design Molecular Modelling Computational Chemistry Medicinal Chemistry |
| ISBN |
9783031338717
3031338715 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | SBDD and its challenges -- In silico discovery of class IIb HDAC inhibitors: The state of art -- Role of computational modelling in drug discovery for Alzheimer’s disease -- Computational Modeling in the Development of Antiviral Agents -- Targeted computational approaches to identify potential inhibitors for Nipah virus -- Role of Computational Modelling in Drug Discovery for HIV -- Recent insight of the emerging severe fever with thrombocytopenia syndrome virus: drug discovery, therapeutic options, and limitations -- Computational toxicological aspects in drug design and discovery, screening adverse effects -- Read-Across and RASAR tools from the DTC Laboratory -- Databases for Drug Discovery and Development. |
| Record Nr. | UNINA-9910734828903321 |
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Kar Supratik
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| Cham : , : Springer International Publishing : , : Imprint : Springer, , 2023 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Foundations of Molecular Modeling and Simulation : Select Papers from FOMMS 2018 / / edited by Edward J. Maginn, Jeffrey Errington
| Foundations of Molecular Modeling and Simulation : Select Papers from FOMMS 2018 / / edited by Edward J. Maginn, Jeffrey Errington |
| Edizione | [1st ed. 2021.] |
| Pubbl/distr/stampa | Singapore : , : Springer Nature Singapore : , : Imprint : Springer, , 2021 |
| Descrizione fisica | 1 online resource (x, 220 pages) : illustrations |
| Disciplina | 541.220113 |
| Collana | Molecular Modeling and Simulation, Applications and Perspectives |
| Soggetto topico |
Molecular dynamics
Molecules - Models Chemical engineering Statistical Mechanics Molecular Dynamics Molecular Modelling Chemical Engineering |
| ISBN | 981-336-639-7 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Strain Controlling Catalytic Efficiency of Water Oxidation for Ni1-xFexOOH alloy -- The Role of Entropy in the Structural Transitions in Zeolitic Imidazolate Frameworks -- Coarse-grained modeling and simulations of thermoresponsive biopolymers and polymer nanocomposites with specific and directional interactions -- Dissipative Particle Dynamics Approaches to Modeling the Self-Assembly and Morphology of Neutral and Ionic Block Copolymers in Solution -- The Statistical Mechanics of Solution-phase Nucleation: CaCO3 Revisited -- Efficient Sampling of High-Dimensional Free Energy Landscapes: A Review of Parallel Bias Metadynamics. |
| Record Nr. | UNINA-9910768172003321 |
| Singapore : , : Springer Nature Singapore : , : Imprint : Springer, , 2021 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Machine Learning in Molecular Sciences / / edited by Chen Qu, Hanchao Liu
| Machine Learning in Molecular Sciences / / edited by Chen Qu, Hanchao Liu |
| Edizione | [1st ed. 2023.] |
| Pubbl/distr/stampa | Cham : , : Springer International Publishing : , : Imprint : Springer, , 2023 |
| Descrizione fisica | 1 online resource (323 pages) |
| Disciplina | 006.31 |
| Collana | Challenges and Advances in Computational Chemistry and Physics |
| Soggetto topico |
Machine learning
Artificial intelligence Molecules - Models Chemistry, Physical and theoretical Chemistry - Data processing Bioinformatics Machine Learning Artificial Intelligence Molecular Modelling Theoretical Chemistry Computational Chemistry Computational and Systems Biology |
| ISBN | 3-031-37196-8 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | An Introduction to Machine Learning in Molecular Sciences -- Graph Neural Networks for Molecules -- Voxelized representations of atomic systems for machine learning applications -- Development of exchange-correlation functionals assisted by machine learning -- Machine-Learning for Static and Dynamic Electronic Structure Theory -- Data Quality, Data Sampling and Data Fitting: A Tutorial Guide for Constructing Full-dimensional Accurate Potential Energy Surfaces (PESs) of Molecules and Reactions -- Machine Learning Applications in Chemical Kinetics and Thermochemistry -- Synthesize in A Smart Way: A Brief Introduction to Intelligence and Automation in Organic Synthesis -- Machine Learning for Protein Engineering. |
| Record Nr. | UNINA-9910746977103321 |
| Cham : , : Springer International Publishing : , : Imprint : Springer, , 2023 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Molecular and Computational Modeling of Cardiac Function / / edited by Thomas Jue
| Molecular and Computational Modeling of Cardiac Function / / edited by Thomas Jue |
| Autore | Jue Thomas |
| Edizione | [1st ed. 2024.] |
| Pubbl/distr/stampa | Cham : , : Springer Nature Switzerland : , : Imprint : Springer, , 2024 |
| Descrizione fisica | 1 online resource (273 pages) |
| Disciplina | 572.8 |
| Collana | Handbook of Modern Biophysics |
| Soggetto topico |
Molecules - Models
Cardiovascular system Physiology Molecular biology Molecular dynamics Cytology Molecular Modelling Cardiovascular Physiology Molecular Biology Molecular Dynamics Cell Biology |
| ISBN |
9783031737305
303173730X |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Introduction to Atomistic Modeling and Simulation of Biomolecular Systems -- Investigating -- Cardiovascular Function Modulation via Atomistic Modeling and Simulations -- Bifurcation Phenomena in Cardiac System and Its Analyzes -- Modeling and simulation of drug actions on cardiac ion channels and myocytes -- Modeling the Function of Myoglobin in Myocardium -- Population based computational approaches to investigate cardiac arrhythmia risk. |
| Record Nr. | UNINA-9910921017803321 |
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Jue Thomas
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| Cham : , : Springer Nature Switzerland : , : Imprint : Springer, , 2024 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Molecular Properties via Induced Current Densities / / by Francesco Ferdinando Summa
| Molecular Properties via Induced Current Densities / / by Francesco Ferdinando Summa |
| Autore | Summa Francesco Ferdinando |
| Edizione | [1st ed. 2024.] |
| Pubbl/distr/stampa | Cham : , : Springer Nature Switzerland : , : Imprint : Springer, , 2024 |
| Descrizione fisica | 1 online resource (164 pages) |
| Disciplina | 541.2 |
| Collana | Springer Theses, Recognizing Outstanding Ph.D. Research |
| Soggetto topico |
Chemistry, Physical and theoretical
Chemistry - Data processing Atoms Molecules Quantum theory Molecules - Models Theoretical Chemistry Computational Chemistry Atomic, Molecular and Chemical Physics Quantum Physics Physical Chemistry Molecular Modelling |
| ISBN |
9783031601590
9783031601583 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Introduction -- General Definitions -- Time-Independent Electron Current Density -- Time-Dependent Perturbations -- Implementation of Origin-Independent Dynamic Polarizability Density Within Coupled Cluster Response Theory -- Conclusions and Outlook. |
| Record Nr. | UNINA-9910865258703321 |
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Summa Francesco Ferdinando
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| Cham : , : Springer Nature Switzerland : , : Imprint : Springer, , 2024 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Philosophy of Astrophysics : Stars, Simulations, and the Struggle to Determine What is Out There / / edited by Nora Mills Boyd, Siska De Baerdemaeker, Kevin Heng, Vera Matarese
| Philosophy of Astrophysics : Stars, Simulations, and the Struggle to Determine What is Out There / / edited by Nora Mills Boyd, Siska De Baerdemaeker, Kevin Heng, Vera Matarese |
| Autore | Boyd Nora Mills |
| Edizione | [1st ed. 2023.] |
| Pubbl/distr/stampa | Cham : , : Springer International Publishing : , : Imprint : Springer, , 2023 |
| Descrizione fisica | 1 online resource (XII, 332 p. 1 illus.) |
| Disciplina | 501 |
| Collana | Synthese Library, Studies in Epistemology, Logic, Methodology, and Philosophy of Science |
| Soggetto topico |
Science - Philosophy
Astronomy Molecules - Models Knowledge, Theory of Philosophy of Science Astronomy, Cosmology and Space Sciences Molecular Modelling Epistemology Astronomy, Observations and Techniques |
| ISBN | 3-031-26618-8 |
| Classificazione | PHI004000SCI004000SCI075000SCI086000 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | 1. Introduction (Vera Matarese, Siska De Baerdemaeker, and Nora Mills Boyd) -- Part I: Theory, Observation, and the Relation Between Them. 2. Laboratory Astrophysics: Lessons for Epistemology of Astrophysics (Nora Mills Boyd) -- 3. A Crack in the Track of the Hubble Constant (Marie Gueguen) -- 4. Theory Testing in Gravitational-Wave Astrophysics (Jamee Elder) -- 5. Hybrid Enrichment of Theory and Observation in Next-Generation Stellar Population Synthesis (Lydia Patton) -- 6. Doing More with Less: Dark Matter & Modified Gravity (Niels C. M. Martens and Martin King) -- Part II: Models and Simulations. 7. Stellar Structure Models Revisited: Evidence and Data in Asteroseismology (Mauricio Suárez) -- 8. Idealizations in Astrophysical Computer Simulations (Melissa Jacquart and Regy-Null R. Arcadia) -- 9. Simulation Verification in Practice (Kevin Kadowaki) -- 10. (What) Do We Learn from Code Comparisons? A Case Study of Self-Interacting Dark Matter Implementations (Helen Meskhidze) -- 11. Simulation and Experiment Revisited: Temporal Data in Astronomy and Astrophysics (Shannon Sylvie Abelson) -- 12. What’s In a Survey? Simulation-Induced Selection Effects in Astronomy (Sarah C. Gallagher and Christopher Smeenk) -- Part III: Black Holes. 13. On the Epistemology of Observational Black Hole Astrophysics (Juliusz Doboszewski and Dennis Lehmkuhl) -- 14. Black Holes and Analogy (Alex Mathie) -- 15. Extragalactic Reality Revisited: Astrophysics and Entity Realism (Simon Allzén) -- Part IV: Concluding Thoughts. 16. Reflections by a Theoretical Astrophysicist (Kevin Heng) -- 17. Annotated Bibliography (Cameron C. Yetman). |
| Record Nr. | UNINA-9910731412903321 |
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Boyd Nora Mills
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| Cham : , : Springer International Publishing : , : Imprint : Springer, , 2023 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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q-RASAR : A Path to Predictive Cheminformatics / / by Kunal Roy, Arkaprava Banerjee
| q-RASAR : A Path to Predictive Cheminformatics / / by Kunal Roy, Arkaprava Banerjee |
| Autore | Roy Kunal <1971-> |
| Edizione | [1st ed. 2024.] |
| Pubbl/distr/stampa | Cham : , : Springer Nature Switzerland : , : Imprint : Springer, , 2024 |
| Descrizione fisica | 1 online resource (99 pages) |
| Disciplina | 542.85 |
| Collana | SpringerBriefs in Molecular Science |
| Soggetto topico |
Chemistry - Data processing
Quantum theory Computer simulation Molecules - Models Computational Chemistry Quantum Simulations Molecular Modelling |
| ISBN | 3-031-52057-2 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Chemical Information and Molecular Similarity -- Read-across and Quantitative Structure-activity Relationships (QSAR) for Making Predictions and Data Gap-Filling -- Quantitative Read-Across (q-RA) and Quantitative Read-Across Structure-Activity Relationships (q-RASAR) – Genesis and Model Development -- Tools, Applications, and Case Studies (q-RA and q-RASAR) -- Future Prospects. |
| Record Nr. | UNINA-9910806198703321 |
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Roy Kunal <1971->
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| Cham : , : Springer Nature Switzerland : , : Imprint : Springer, , 2024 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Springer Handbook of Chem- and Bioinformatics / / edited by Jerzy Leszczynski
| Springer Handbook of Chem- and Bioinformatics / / edited by Jerzy Leszczynski |
| Autore | Leszczyński Jerzy |
| Edizione | [1st ed. 2025.] |
| Pubbl/distr/stampa | Cham : , : Springer Nature Switzerland : , : Imprint : Springer, , 2025 |
| Descrizione fisica | 1 online resource (2767 pages) |
| Disciplina | 542.85 |
| Altri autori (Persone) | NatansonWojciech |
| Collana | Springer Handbooks |
| Soggetto topico |
Chemistry - Data processing
Bioinformatics Cheminformatics Molecules - Models Machine learning Computational Chemistry Computational and Systems Biology Molecular Modelling Machine Learning |
| ISBN | 3-031-81728-1 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | 1 Computational Biology and Biochemistry -- 2 Cheminformatics I: Ligand-Based Molecular Modeling -- 3 Cheminformatics II: Structure-Based Molecular Modeling and Drug Design -- 4 Bioinformatics -- 5 Machine Learning, Artificial intelligence, and Big Data. |
| Record Nr. | UNINA-9911049094803321 |
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Leszczyński Jerzy
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| Cham : , : Springer Nature Switzerland : , : Imprint : Springer, , 2025 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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