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Advances in Bioinformatics / / edited by Vijai Singh, Ajay Kumar
| Advances in Bioinformatics / / edited by Vijai Singh, Ajay Kumar |
| Edizione | [2nd ed. 2024.] |
| Pubbl/distr/stampa | Singapore : , : Springer Nature Singapore : , : Imprint : Springer, , 2024 |
| Descrizione fisica | 1 online resource (364 pages) |
| Disciplina | 570.285 |
| Soggetto topico |
Bioinformatics
Proteins Genomics Cheminformatics Artificial intelligence Artificial Intelligence |
| ISBN | 981-9984-01-7 |
| Formato | Materiale a stampa  |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Ch 1 Revolutionizing Genomics: Exploring the Potential of Next-Generation Sequencing -- Ch 2 Advances in structural bioinformatics -- Ch 3 Functional genomics and network biology -- Ch 4 Bioinformatics in gene and genome analysis -- Ch 5 Role of bioinformatics in non-coding RNA analysis -- Ch 6 Next generation sequencing in healthcare -- Ch 7 Genome scale modelling for novel drug targets -- Ch 8 Role of bioinformatics in genome editing -- Ch 9 Bioinformatics in pathway identification, design, modelling and simulation -- Ch 10 Integration of Metabolomics and Flux Balance Analysis: Applications and Challenges -- Ch 11 Bioinformatics in drug discovery -- Ch 12 Use of bioinformatics in high throughput drug screening -- Ch 13 Bioinformatics in precision medicine and healthcare -- Ch 14 Role of bioinformatics in data mining and big data analysis -- Ch 15 Unveiling the Dynamic Role of Bioinformatics in Automation for Efficient and Accurate Data Processing and Interpretation -- Ch 16 Artificial intelligence and machine learning in bioinformatics -- Ch 17 Bioinformatics in preventive medicine and epidemiology. |
| Record Nr. | UNINA-9910831020603321 |
| Singapore : , : Springer Nature Singapore : , : Imprint : Springer, , 2024 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Applications of Computational Tools in Drug Design and Development / / edited by S.N. Koteswara Rao G., Rajasekhar Reddy Alavala
| Applications of Computational Tools in Drug Design and Development / / edited by S.N. Koteswara Rao G., Rajasekhar Reddy Alavala |
| Edizione | [1st ed. 2025.] |
| Pubbl/distr/stampa | Singapore : , : Springer Nature Singapore : , : Imprint : Springer, , 2025 |
| Descrizione fisica | 1 online resource (XVIII, 1022 p. 271 illus., 140 illus. in color.) |
| Disciplina | 615 |
| Soggetto topico |
Pharmacology
Bioinformatics Medicine - Research Biology - Research Pharmaceutical chemistry Cheminformatics Biomedical Research Pharmaceutics |
| ISBN | 981-9641-54-3 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Chapter 1. Computational simulation of drug delivery at the molecular level -- Chapter 2. Computational modelling for formulation design -- Chapter 3. Computational fluid dynamics-the revolutionary innovative methodology in pharmaceutical industry -- Chapter 4. Population Modelling -- Chapter 5. Design of Experiments: Understanding optimization -- Chapter 6. Computational modelling of pharmaceutical die filling processes -- Chapter 7. Inhalation Aerosol based Targeted Drug Delivery to upper airways: Computational fluid dynamics (CFD) Approach -- Chapter 8. Pharmaceutical inhalation compounds development by using in silico modelling tools -- Chapter 9. Computational tools employed in Cheminformatics -- Chapter 10. Computational simulations as preformulation perspective for the delivery of Drugs -- Chapter 11. Computational Tools for Solubility prediction -- Chapter 12. Advances in the Computational Prediction of Absorption of Pharmaceuticals -- Chapter 13. Protein Binding Prediction by Computational Methods -- Chapter 14. Physiologically based Pharmacokinetic (PBPK) Modelling and Pharmacokinetic Pharmacodynamic (PKPD) Modelling -- Chapter 15. Prediction of Bio-permeability of Pharmaceuticals with advanced dynamic simulation studies -- Chapter 16. Accomplishment of Toxicity Prediction by CADD Tools -- Chapter 17. Metabolism Prediction: Identification of potential sites of metabolism in Lead molecules -- Chapter 18. Computer Assisted Simulation Studies for Identifying the Drug-Polymer Interactions -- Chapter 19. Recent Advances in Drug likeness screening by using the Software and Online tools -- Chapter 20. Mechanistic Understanding of the Anti-Alzheimer’s Agents with Computational Studies -- Chapter 21. Advances in the design of novel antidiabetic agents by using in silico approaches -- Chapter 22. Towards the mechanistic understanding of Atherosclerosis Drug Design -- Chapter 23. Modern computational intelligence based drug repurposing for Cancer Therapeutics -- Chapter 24. Computational analyses of mechanism of action of Antiepileptic Agents -- Chapter 25. Rational Approaches and Designing Strategies for Antihypertensive Agents -- Chapter 26. Drug discovery and computational strategies in the Multi-Drug Resistant Tuberculosis -- Chapter 27. The Network Pharmacology Approach to Uncover the Pharmacological Mechanism of Natural Products. |
| Record Nr. | UNINA-9911003593303321 |
| Singapore : , : Springer Nature Singapore : , : Imprint : Springer, , 2025 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Applications of Quantum Dynamics in Chemistry / / by Fabien Gatti, Benjamin Lasorne, Hans-Dieter Meyer, André Nauts
| Applications of Quantum Dynamics in Chemistry / / by Fabien Gatti, Benjamin Lasorne, Hans-Dieter Meyer, André Nauts |
| Autore | Gatti Fabien |
| Edizione | [1st ed. 2017.] |
| Pubbl/distr/stampa | Cham : , : Springer International Publishing : , : Imprint : Springer, , 2017 |
| Descrizione fisica | 1 online resource (XVI, 429 p. 110 illus.) |
| Disciplina | 541.28 |
| Collana | Lecture Notes in Chemistry |
| Soggetto topico |
Chemistry, Physical and theoretical
Quantum theory Cheminformatics Chemometrics Theoretical and Computational Chemistry Quantum Physics Computer Applications in Chemistry Math. Applications in Chemistry |
| ISBN | 3-319-53923-X |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Part I Introduction -- Part II Concepts and Methods: Quantum effects -- Electronic states and potential energy operators -- The Choice of coordinates -- Kinetic energy operators -- Introduction to molecular symmetry -- Introduction to numerical methods and to MCTDH -- Part III Applications: Infrared spectroscopy -- Quantum control with laser pulses in the electronic ground state -- Photodissociation spectra -- Cross sections for reactive scattering -- Quantum control with laser pulses for electronically excited states -- Non-adiabatic photochemistry -- Optimal control and quantum computers -- Part IV Conclusion. |
| Record Nr. | UNINA-9910254147103321 |
Gatti Fabien
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| Cham : , : Springer International Publishing : , : Imprint : Springer, , 2017 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Applied Bioinformatics : An Introduction / / by Paul M. Selzer, Richard J. Marhöfer, Oliver Koch
| Applied Bioinformatics : An Introduction / / by Paul M. Selzer, Richard J. Marhöfer, Oliver Koch |
| Autore | Selzer Paul M |
| Edizione | [2nd ed. 2018.] |
| Pubbl/distr/stampa | Cham : , : Springer International Publishing : , : Imprint : Springer, , 2018 |
| Descrizione fisica | 1 online resource (XVI, 183 p. 76 illus., 69 illus. in color.) |
| Disciplina | 570.285 |
| Soggetto topico |
Bioinformatics
Computational biology Cheminformatics Computer Appl. in Life Sciences Computational Biology/Bioinformatics Computer Applications in Chemistry |
| ISBN |
9783319683010
3319683012 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | The Biological Foundations of Bioinformatics -- Biological databases -- Sequence Comparisons and Sequence-Based Database Searches -- The decoding of eukaryotic genomes -- Protein Structures and Structure-Based Rational Drug Design -- The Functional Analysis of Genomes -- Comparative genome analyses. |
| Record Nr. | UNINA-9910298439303321 |
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Selzer Paul M
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| Cham : , : Springer International Publishing : , : Imprint : Springer, , 2018 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Applied chemoinformatics : achievements and future opportunities / / edited by Thomas Engel and Johann Gasteiger
| Applied chemoinformatics : achievements and future opportunities / / edited by Thomas Engel and Johann Gasteiger |
| Pubbl/distr/stampa | Weinheim, Germany : , : Wiley-VCH, , [2018] |
| Descrizione fisica | 1 online resource (646 pages) |
| Disciplina | 542.85 |
| Soggetto topico | Cheminformatics |
| ISBN |
3-527-80654-7
3-527-80652-0 3-527-80653-9 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910270914303321 |
| Weinheim, Germany : , : Wiley-VCH, , [2018] | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Applied chemoinformatics : achievements and future opportunities / / edited by Thomas Engel and Johann Gasteiger
| Applied chemoinformatics : achievements and future opportunities / / edited by Thomas Engel and Johann Gasteiger |
| Pubbl/distr/stampa | Weinheim, Germany : , : Wiley-VCH, , [2018] |
| Descrizione fisica | 1 online resource (646 pages) |
| Disciplina | 542.85 |
| Soggetto topico | Cheminformatics |
| ISBN |
3-527-80654-7
3-527-80652-0 3-527-80653-9 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910830379303321 |
| Weinheim, Germany : , : Wiley-VCH, , [2018] | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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The Art of High Performance Computing for Computational Science, Vol. 1 : Techniques of Speedup and Parallelization for General Purposes / / edited by Masaaki Geshi
| The Art of High Performance Computing for Computational Science, Vol. 1 : Techniques of Speedup and Parallelization for General Purposes / / edited by Masaaki Geshi |
| Edizione | [1st ed. 2019.] |
| Pubbl/distr/stampa | Singapore : , : Springer Singapore : , : Imprint : Springer, , 2019 |
| Descrizione fisica | 1 online resource (IX, 219 p. 119 illus., 39 illus. in color.) |
| Disciplina | 005.11 |
| Soggetto topico |
Computer programming
Cheminformatics Computer simulation Programming Techniques Computer Applications in Chemistry Simulation and Modeling |
| ISBN | 981-13-6194-0 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Chapter 1: High-Performance Computing Basics -- Chapter 2: Basics of MPI Programming -- Chapter 3: Basics of OpenMP Programming -- Chapter 4: Hybrid Parallelization Techniques -- Chapter 5: Application of Techniques for High-Performance Computing -- Chapter 6: Basics and practice of linear algebra calculation library BLAS and LAPACK -- Chapter 7: High performance algorithms for numerical linear algebra -- Chapter 8: Fast Fourier Transform in Large Scale Systems -- Chapter 9: Optimization and Related Topics -- Chapter 10: Techniques concerning computation accuracy. |
| Record Nr. | UNINA-9910350230403321 |
| Singapore : , : Springer Singapore : , : Imprint : Springer, , 2019 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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The Art of High Performance Computing for Computational Science, Vol. 2 : Advanced Techniques and Examples for Materials Science / / edited by Masaaki Geshi
| The Art of High Performance Computing for Computational Science, Vol. 2 : Advanced Techniques and Examples for Materials Science / / edited by Masaaki Geshi |
| Edizione | [1st ed. 2019.] |
| Pubbl/distr/stampa | Singapore : , : Springer Singapore : , : Imprint : Springer, , 2019 |
| Descrizione fisica | 1 online resource (IX, 206 p. 99 illus., 7 illus. in color.) |
| Disciplina | 005.11 |
| Soggetto topico |
Computer programming
Cheminformatics Computer simulation Programming Techniques Computer Applications in Chemistry Simulation and Modeling |
| ISBN | 981-13-9802-X |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Chapter 1: Supercomputers and application performance -- Chapter 2: Performance optimization of applications -- Chapter 3: Case studies of performance optimization of applications -- Chapter 4: O(N) methods -- Chapter 5: Acceleration of Classical Molecular Dynamics Simulations -- Chapter 6: Large scale quantum chemical calculation. |
| Record Nr. | UNINA-9910350221003321 |
| Singapore : , : Springer Singapore : , : Imprint : Springer, , 2019 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Atomic Switch : From Invention to Practical Use and Future Prospects / / edited by Masakazu Aono
| Atomic Switch : From Invention to Practical Use and Future Prospects / / edited by Masakazu Aono |
| Edizione | [1st ed. 2020.] |
| Pubbl/distr/stampa | Cham : , : Springer International Publishing : , : Imprint : Springer, , 2020 |
| Descrizione fisica | 1 online resource (XI, 266 p. 150 illus., 112 illus. in color.) |
| Disciplina | 542.85 |
| Collana | Advances in Atom and Single Molecule Machines |
| Soggetto topico |
Cheminformatics
Nanotechnology Electrochemistry Metals Physics Computer Applications in Chemistry Nanotechnology and Microengineering Metallic Materials Applied and Technical Physics |
| ISBN | 3-030-34875-X |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Invention and Development of the Atomic Switch -- Pathway to Atomic-Switch Based Programmable Logic -- Atom-Switch FPGA: Application for IoT Sensing System in Space -- An Evaluation of Single Event Effects by Heavy Ion Irradiation on Atom Switch ROM / FPGA -- Nanoscale Electrochemical Studies: How can we Use the Atomic Switch -- Atomistic Simulations for Understanding Microscopic Mechanism of Resistive Switches -- Development of Three-terminal Atomic Switches and Related Topics -- Solid-Polymer-Electrolyte-Based Atomic Switches -- Nanoionic Devices for Physical Property Tuning and Enhancement -- Artificial Synapses Realized by Atomic Switch Technology -- Atomic Switch Networks for Neuroarchitectonics: Past, Present, Future -- A List of Papers Related to the Atomic Switch. |
| Record Nr. | UNINA-9910410036103321 |
| Cham : , : Springer International Publishing : , : Imprint : Springer, , 2020 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Basis sets in computational chemistry / / Eva Perlt, editor
| Basis sets in computational chemistry / / Eva Perlt, editor |
| Edizione | [1st ed. 2021.] |
| Pubbl/distr/stampa | Cham, Switzerland : , : Springer, , [2021] |
| Descrizione fisica | 1 online resource (VII, 255 p. 86 illus., 64 illus. in color.) |
| Disciplina | 542.85 |
| Collana | Lecture notes in chemistry |
| Soggetto topico | Cheminformatics |
| ISBN | 3-030-67262-X |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | An Introduction and Overview of Basis Sets for Molecular and Solid-state Calculations -- Slater-type Orbitals -- Local Orbitals in Quantum Chemistry -- An introduction to discretization error analysis for computational chemists -- Basis Sets for Correlated Methods -- Gaussian Basis Sets for Solid State Calculations -- Basis Sets for Heavy Atoms -- Adaptable Gaussian Bases for Quantum Dynamics of the Nuclei. |
| Record Nr. | UNINA-9910483746803321 |
| Cham, Switzerland : , : Springer, , [2021] | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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