top

  Info

  • Utilizzare la checkbox di selezione a fianco di ciascun documento per attivare le funzionalità di stampa, invio email, download nei formati disponibili del (i) record.

  Info

  • Utilizzare questo link per rimuovere la selezione effettuata.
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  
Singapore : , : Springer Nature Singapore : , : Imprint : Springer, , 2024
Materiale a stampa
Lo trovi qui: Univ. Federico II
Opac: Controlla la disponibilità qui
AI-Guided Design and Property Prediction for Zeolites and Nanoporous Materials / / edited by German Sastre and Frits Daeyaert
AI-Guided Design and Property Prediction for Zeolites and Nanoporous Materials / / edited by German Sastre and Frits Daeyaert
Autore Sastre German
Edizione [First edition.]
Pubbl/distr/stampa Hoboken, NJ : , : John Wiley & Sons Ltd, , [2023]
Descrizione fisica xxvi, 431 pages : color illustrations ; ; 27 cm
Disciplina 539.12
Soggetto topico Molecules - Models
Artificial intelligence
ISBN 1-119-81978-4
1-119-81976-8
Formato Materiale a stampa
Livello bibliografico Monografia
Lingua di pubblicazione eng
Nota di contenuto The confluence of organo-cations, inorganic species, and molecular modeling on the discovery of new zeolite structures and compositions / Christopher M. Lew, Dan Xie, Joel E. Schmidt, Saleh Elomari, Tracy M. Davis, and Stacey I. Zones -- Efficient data utilization in training machine learning models for nanoporous materials screening / Jiham Kim.
Record Nr. UNINA-9910829950803321
Sastre German  
Hoboken, NJ : , : John Wiley & Sons Ltd, , [2023]
Materiale a stampa
Lo trovi qui: Univ. Federico II
Opac: Controlla la disponibilità qui
Bibliography on molecular and crystal structure models / / Deane K. Smith
Bibliography on molecular and crystal structure models / / Deane K. Smith
Autore Smith Deane K (Deane Kingsley)
Pubbl/distr/stampa Washington : , : U.S. Dept. of Commerce, National Bureau of Standards, , 1960
Descrizione fisica 1 online resource (iv, 7 pages)
Disciplina 016.54122
Collana NBS monograph
Soggetto topico Chemistry, Physical and theoretical
Crystals - Models
Molecules - Models
Soggetto genere / forma Bibliographies.
Formato Materiale a stampa
Livello bibliografico Monografia
Lingua di pubblicazione eng
Record Nr. UNINA-9910712910403321
Smith Deane K (Deane Kingsley)  
Washington : , : U.S. Dept. of Commerce, National Bureau of Standards, , 1960
Materiale a stampa
Lo trovi qui: Univ. Federico II
Opac: Controlla la disponibilità qui
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
Kar Supratik  
Cham : , : Springer International Publishing : , : Imprint : Springer, , 2023
Materiale a stampa
Lo trovi qui: Univ. Federico II
Opac: Controlla la disponibilità qui
Foldamers [[electronic resource] ] : structure, properties, and applications / / edited by Stefan Hecht and Ivan Huc ; foreword by François Diederich
Foldamers [[electronic resource] ] : structure, properties, and applications / / edited by Stefan Hecht and Ivan Huc ; foreword by François Diederich
Pubbl/distr/stampa Weinheim, : Wiley-VCH, c2007
Descrizione fisica 1 online resource (459 p.)
Disciplina 541
547.7
Altri autori (Persone) HechtStefan <1974->
HucIvan
Soggetto topico Chemistry, Technical
Molecules - Models
Oligomers
Soggetto genere / forma Electronic books.
ISBN 1-281-08796-3
1-282-11841-2
9786612118418
9786611087968
3-527-61147-9
3-527-61148-7
Formato Materiale a stampa
Livello bibliografico Monografia
Lingua di pubblicazione eng
Nota di contenuto Foldamers; Foreword; Contents; Preface; List of Contributors; Part 1 Structure: Foldamer Design Concepts; 1 Foldamers Based on Local Conformational Preferences; 1.1 Introduction; 1.2 Rigidly Locked Molecules; 1.3 Predictable Foldamers; 1.3.1 Local Conformational Control; 1.3.2 Folded Conformations of π-conjugated Systems; 1.3.2.1 Crescents and Helices; 1.3.2.2 Linear Strands; 1.3.2.3 Macrocycles; 1.3.3 Partially π-conjugated Oligomers; 1.4 Semi-rigid Backbones; 1.4.1 Tertiary Aromatic Amides, Imides and Ureas; 1.4.2 Tertiary Aliphatic Amides: Polyprolines and Peptoids
1.4.3 Hindered Polymer and Oligomer Backbones1.5 Conformational Transitions; 1.6 Conclusion and Perspectives; References; 2 Foldamers Based on Remote Intrastrand Interactions; 2.1 Introduction; 2.2 What can be Learned from Strategies used to Control Conformations of α-Polypeptides?; 2.3 Helices from Homogeneous Oligomeric Backbones with Periodicity at the Monomer Level: ω-Peptides and their Analogs; 2.3.1 Compact Helices with Large (>10 atoms) H-bonded Rings; 2.3.1.1 The Homologation Strategy: β- and γ-Peptide Foldamers
2.3.1.2 Imposing Backbone Conformational Restriction/Pre-organization for Optimal Helical Folding2.3.1.3 Folding in an Aqueous Environment; 2.3.1.4 Dynamics of β- and γ-Peptide Helices: Evidence for Noncooperative Folding/Unfolding Processes; 2.3.2 Extended Helices with Small H-bonded Rings Centered at a Single Residue; 2.3.2.1 α-Peptides: the γ-Helix; 2.3.2.2 ω-Peptides with Specific Conformation-stabilizing Elements; 2.3.2.3 Stabilizing Local Backbone Conformation by Inverse-Bifurcation Involving an Additional Heteroatom; 2.4 Oligoamide Mixed Helices
2.4.1 The α-Oligopeptide Precedent: from Antibiotic Gramicidin A to Poly-Gln Aggregates in Huntington's Disease2.4.2 Introducing Periodicity at the Level of a Dimer Unit in β-Peptides leads to a Remarkably Stable Mixed Helical Fold; 2.4.2.1 By Mixing β(2)- and β(3)-Amino Acids; 2.4.2.2 Additional Substitution Patterns Stabilizing the Mixed 10/12- (12/10-) Helix; 2.4.3 Extending the Concept of Mixed Helices; 2.5 Nonperiodic Structures: Open Chain β-Turn-like Motifs and Hairpins in Designed Homo-oligomers; 2.5.1 Sheet-forming ω-peptides; 2.5.2 Turn Segment for Hairpin Formation
2.6 Expanding Structural Diversity with Heterogeneous Backbones2.6.1 From Discrete ω-Amino Acid Guests in α-Helices to Helical α,ω- and β,γ-Peptide Hybrids; 2.6.2 Hairpins from α,ω-Peptide Hybrids; 2.6.3 Sculpting New Shapes by Integrating H-Bonding, Aromatic Interactions and Multiple Levels of Pre-organization; 2.7 Conclusion and Outlook; References; 3 Foldamers Based on Solvophobic Effects; 3.1 Introduction; 3.2 Learning from Solvophobically Driven Assemblies - Intermolecular Solvophobic Interactions; 3.3 Learning from Synthetic and Biological Polymers
3.4 Recent Advances in Foldamers Based on Solvophobic Effects
Record Nr. UNINA-9910144010903321
Weinheim, : Wiley-VCH, c2007
Materiale a stampa
Lo trovi qui: Univ. Federico II
Opac: Controlla la disponibilità qui
Foldamers [[electronic resource] ] : structure, properties, and applications / / edited by Stefan Hecht and Ivan Huc ; foreword by François Diederich
Foldamers [[electronic resource] ] : structure, properties, and applications / / edited by Stefan Hecht and Ivan Huc ; foreword by François Diederich
Pubbl/distr/stampa Weinheim, : Wiley-VCH, c2007
Descrizione fisica 1 online resource (459 p.)
Disciplina 541
547.7
Altri autori (Persone) HechtStefan <1974->
HucIvan
Soggetto topico Chemistry, Technical
Molecules - Models
Oligomers
ISBN 1-281-08796-3
1-282-11841-2
9786612118418
9786611087968
3-527-61147-9
3-527-61148-7
Formato Materiale a stampa
Livello bibliografico Monografia
Lingua di pubblicazione eng
Nota di contenuto Foldamers; Foreword; Contents; Preface; List of Contributors; Part 1 Structure: Foldamer Design Concepts; 1 Foldamers Based on Local Conformational Preferences; 1.1 Introduction; 1.2 Rigidly Locked Molecules; 1.3 Predictable Foldamers; 1.3.1 Local Conformational Control; 1.3.2 Folded Conformations of π-conjugated Systems; 1.3.2.1 Crescents and Helices; 1.3.2.2 Linear Strands; 1.3.2.3 Macrocycles; 1.3.3 Partially π-conjugated Oligomers; 1.4 Semi-rigid Backbones; 1.4.1 Tertiary Aromatic Amides, Imides and Ureas; 1.4.2 Tertiary Aliphatic Amides: Polyprolines and Peptoids
1.4.3 Hindered Polymer and Oligomer Backbones1.5 Conformational Transitions; 1.6 Conclusion and Perspectives; References; 2 Foldamers Based on Remote Intrastrand Interactions; 2.1 Introduction; 2.2 What can be Learned from Strategies used to Control Conformations of α-Polypeptides?; 2.3 Helices from Homogeneous Oligomeric Backbones with Periodicity at the Monomer Level: ω-Peptides and their Analogs; 2.3.1 Compact Helices with Large (>10 atoms) H-bonded Rings; 2.3.1.1 The Homologation Strategy: β- and γ-Peptide Foldamers
2.3.1.2 Imposing Backbone Conformational Restriction/Pre-organization for Optimal Helical Folding2.3.1.3 Folding in an Aqueous Environment; 2.3.1.4 Dynamics of β- and γ-Peptide Helices: Evidence for Noncooperative Folding/Unfolding Processes; 2.3.2 Extended Helices with Small H-bonded Rings Centered at a Single Residue; 2.3.2.1 α-Peptides: the γ-Helix; 2.3.2.2 ω-Peptides with Specific Conformation-stabilizing Elements; 2.3.2.3 Stabilizing Local Backbone Conformation by Inverse-Bifurcation Involving an Additional Heteroatom; 2.4 Oligoamide Mixed Helices
2.4.1 The α-Oligopeptide Precedent: from Antibiotic Gramicidin A to Poly-Gln Aggregates in Huntington's Disease2.4.2 Introducing Periodicity at the Level of a Dimer Unit in β-Peptides leads to a Remarkably Stable Mixed Helical Fold; 2.4.2.1 By Mixing β(2)- and β(3)-Amino Acids; 2.4.2.2 Additional Substitution Patterns Stabilizing the Mixed 10/12- (12/10-) Helix; 2.4.3 Extending the Concept of Mixed Helices; 2.5 Nonperiodic Structures: Open Chain β-Turn-like Motifs and Hairpins in Designed Homo-oligomers; 2.5.1 Sheet-forming ω-peptides; 2.5.2 Turn Segment for Hairpin Formation
2.6 Expanding Structural Diversity with Heterogeneous Backbones2.6.1 From Discrete ω-Amino Acid Guests in α-Helices to Helical α,ω- and β,γ-Peptide Hybrids; 2.6.2 Hairpins from α,ω-Peptide Hybrids; 2.6.3 Sculpting New Shapes by Integrating H-Bonding, Aromatic Interactions and Multiple Levels of Pre-organization; 2.7 Conclusion and Outlook; References; 3 Foldamers Based on Solvophobic Effects; 3.1 Introduction; 3.2 Learning from Solvophobically Driven Assemblies - Intermolecular Solvophobic Interactions; 3.3 Learning from Synthetic and Biological Polymers
3.4 Recent Advances in Foldamers Based on Solvophobic Effects
Record Nr. UNINA-9910830554803321
Weinheim, : Wiley-VCH, c2007
Materiale a stampa
Lo trovi qui: Univ. Federico II
Opac: Controlla la disponibilità qui
Foldamers : structure, properties, and applications / / edited by Stefan Hecht and Ivan Huc ; foreword by Francois Diederich
Foldamers : structure, properties, and applications / / edited by Stefan Hecht and Ivan Huc ; foreword by Francois Diederich
Pubbl/distr/stampa Weinheim, : Wiley-VCH, c2007
Descrizione fisica 1 online resource (459 p.)
Disciplina 541
547.7
Altri autori (Persone) HechtStefan <1974->
HucIvan
Soggetto topico Chemistry, Technical
Molecules - Models
Oligomers
ISBN 9786612118418
9786611087968
9781281087966
1281087963
9781282118416
1282118412
9783527611478
3527611479
9783527611485
3527611487
Formato Materiale a stampa
Livello bibliografico Monografia
Lingua di pubblicazione eng
Nota di contenuto Foldamers; Foreword; Contents; Preface; List of Contributors; Part 1 Structure: Foldamer Design Concepts; 1 Foldamers Based on Local Conformational Preferences; 1.1 Introduction; 1.2 Rigidly Locked Molecules; 1.3 Predictable Foldamers; 1.3.1 Local Conformational Control; 1.3.2 Folded Conformations of π-conjugated Systems; 1.3.2.1 Crescents and Helices; 1.3.2.2 Linear Strands; 1.3.2.3 Macrocycles; 1.3.3 Partially π-conjugated Oligomers; 1.4 Semi-rigid Backbones; 1.4.1 Tertiary Aromatic Amides, Imides and Ureas; 1.4.2 Tertiary Aliphatic Amides: Polyprolines and Peptoids
1.4.3 Hindered Polymer and Oligomer Backbones1.5 Conformational Transitions; 1.6 Conclusion and Perspectives; References; 2 Foldamers Based on Remote Intrastrand Interactions; 2.1 Introduction; 2.2 What can be Learned from Strategies used to Control Conformations of α-Polypeptides?; 2.3 Helices from Homogeneous Oligomeric Backbones with Periodicity at the Monomer Level: ω-Peptides and their Analogs; 2.3.1 Compact Helices with Large (>10 atoms) H-bonded Rings; 2.3.1.1 The Homologation Strategy: β- and γ-Peptide Foldamers
2.3.1.2 Imposing Backbone Conformational Restriction/Pre-organization for Optimal Helical Folding2.3.1.3 Folding in an Aqueous Environment; 2.3.1.4 Dynamics of β- and γ-Peptide Helices: Evidence for Noncooperative Folding/Unfolding Processes; 2.3.2 Extended Helices with Small H-bonded Rings Centered at a Single Residue; 2.3.2.1 α-Peptides: the γ-Helix; 2.3.2.2 ω-Peptides with Specific Conformation-stabilizing Elements; 2.3.2.3 Stabilizing Local Backbone Conformation by Inverse-Bifurcation Involving an Additional Heteroatom; 2.4 Oligoamide Mixed Helices
2.4.1 The α-Oligopeptide Precedent: from Antibiotic Gramicidin A to Poly-Gln Aggregates in Huntington's Disease2.4.2 Introducing Periodicity at the Level of a Dimer Unit in β-Peptides leads to a Remarkably Stable Mixed Helical Fold; 2.4.2.1 By Mixing β(2)- and β(3)-Amino Acids; 2.4.2.2 Additional Substitution Patterns Stabilizing the Mixed 10/12- (12/10-) Helix; 2.4.3 Extending the Concept of Mixed Helices; 2.5 Nonperiodic Structures: Open Chain β-Turn-like Motifs and Hairpins in Designed Homo-oligomers; 2.5.1 Sheet-forming ω-peptides; 2.5.2 Turn Segment for Hairpin Formation
2.6 Expanding Structural Diversity with Heterogeneous Backbones2.6.1 From Discrete ω-Amino Acid Guests in α-Helices to Helical α,ω- and β,γ-Peptide Hybrids; 2.6.2 Hairpins from α,ω-Peptide Hybrids; 2.6.3 Sculpting New Shapes by Integrating H-Bonding, Aromatic Interactions and Multiple Levels of Pre-organization; 2.7 Conclusion and Outlook; References; 3 Foldamers Based on Solvophobic Effects; 3.1 Introduction; 3.2 Learning from Solvophobically Driven Assemblies - Intermolecular Solvophobic Interactions; 3.3 Learning from Synthetic and Biological Polymers
3.4 Recent Advances in Foldamers Based on Solvophobic Effects
Record Nr. UNINA-9911019604303321
Weinheim, : Wiley-VCH, c2007
Materiale a stampa
Lo trovi qui: Univ. Federico II
Opac: Controlla la disponibilità qui
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
Opac: Controlla la disponibilità qui
Geometry of chemical graphs : polycycles and two-faced maps / Michel Deza, Mathieu Dutour Sikirić
Geometry of chemical graphs : polycycles and two-faced maps / Michel Deza, Mathieu Dutour Sikirić
Autore Deza, Michel
Pubbl/distr/stampa Cambridge : Cambridge University Press, 2008
Descrizione fisica x, 306 p. : ill. ; 25 cm
Disciplina 541.220151
Altri autori (Persone) Dutour Sikirić, Mathieuauthor
Collana Encyclopedia of mathematics and its applications ; 119
Soggetto topico Molecules - Models
Chemical models - Mathematics
ISBN 9780521873079
052187307X
Classificazione LC QD480.D49
AMS 05C10
AMS 52B70
AMS 92E10
Formato Materiale a stampa
Livello bibliografico Monografia
Lingua di pubblicazione und
Record Nr. UNISALENTO-991003903249707536
Deza, Michel  
Cambridge : Cambridge University Press, 2008
Materiale a stampa
Lo trovi qui: Univ. del Salento
Opac: Controlla la disponibilità qui
Graph-theoretical matrices in chemistry / / Duanka Janeic, University of Primorska, Faculty of Mathematics, Natural Sciences and Information Technologies, Koper, Slovenia; Ante Milicevic, The Institute for Medical Research and Occupatio
Graph-theoretical matrices in chemistry / / Duanka Janeic, University of Primorska, Faculty of Mathematics, Natural Sciences and Information Technologies, Koper, Slovenia; Ante Milicevic, The Institute for Medical Research and Occupatio
Autore Janeic Duanka
Pubbl/distr/stampa Boca Raton : , : CRC Press, , [2015]
Descrizione fisica 1 online resource (174 p.)
Disciplina 541/.224
Soggetto topico Chemical structure
Molecules - Models
ISBN 0-429-17223-0
Formato Materiale a stampa
Livello bibliografico Monografia
Lingua di pubblicazione eng
Nota di contenuto Front Cover; Contents; Preface to the Second Edition; Preface to the First Edition; Chapter 1: Introduction; Chapter 2: The Adjacency Matrix and Related Matrices; Chapter 3: Incidence Matrices; Chapter 4: The Distance Matrix and Related Matrices; Chapter 5: Special Matrices; Chapter 6: Graphical Matrices; Chapter 7: Concluding Remarks; Back Cover
Record Nr. UNINA-9910788117303321
Janeic Duanka  
Boca Raton : , : CRC Press, , [2015]
Materiale a stampa
Lo trovi qui: Univ. Federico II
Opac: Controlla la disponibilità qui