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Record Nr. |
UNINA9910478858503321 |
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Autore |
Carchedi David Joseph |
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Titolo |
Higher orbifolds and deligne-mumford stacks as structured infinity-topoi / / David Joseph Carchedi |
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Pubbl/distr/stampa |
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Providence, RI : , : American Mathematical Society, , 2020 |
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ISBN |
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Descrizione fisica |
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1 online resource (132 pages) |
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Collana |
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Memoirs of the American Mathematical Society, , 0065-9266 ; ; Volume 264, Number 1282 |
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Disciplina |
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Soggetti |
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Algebraic geometry -- Families, fibrations -- Stacks and moduli problems |
Toposes |
Orbifolds |
Categories (Mathematics) |
Electronic books. |
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Lingua di pubblicazione |
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Formato |
Materiale a stampa |
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Livello bibliografico |
Monografia |
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Nota di bibliografia |
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Includes bibliographical references. |
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Sommario/riassunto |
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"We develop a universal framework to study smooth higher orbifolds on the one hand and higher Deligne-Mumford stacks (as well as their derived and spectral variants) on the other, and use this framework to obtain a completely categorical description of which stacks arise as the functor of points of such objects. We choose to model higher orbifolds and Deligne-Mumford stacks as infinity-topoi equipped with a structure sheaf, thus naturally generalizing the work of Lurie (2004), but our approach applies not only to different settings of algebraic geometry such as classical algebraic geometry, derived algebraic geometry, and the algebraic geometry of commutative ring spectra as in Lurie (2004), but also to differential topology, complex geometry, the theory of supermanifolds, derived manifolds etc., where it produces a theory of higher generalized orbifolds appropriate for these settings. This universal framework yields new insights into the general theory of Deligne-Mumford stacks and orbifolds, including a representability criterion which gives a categorical characterization of such generalized |
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Deligne-Mumford stacks. This specializes to a new categorical description of classical Deligne-Mumford stacks, a result sketched in Carchedi (2019), which extends to derived and spectral Deligne-Mumford stacks as well"-- |
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2. |
Record Nr. |
UNINA9910829879503321 |
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Titolo |
Protein-ligand interactions from molecular recognition to drug design [[electronic resource] /] / edited by H.-J. Böhm and G. Schneider |
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Pubbl/distr/stampa |
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Weinheim, : Cambridge, : Wiley-VCH, 2003 |
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ISBN |
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1-280-52057-4 |
9786610520572 |
3-527-60551-7 |
3-527-60181-3 |
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Edizione |
[1st ed.] |
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Descrizione fisica |
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1 online resource (264 p.) |
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Collana |
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Methods and Principles in Medicinal Chemistry ; ; v.27 |
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Altri autori (Persone) |
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BöhmHans-Joachim |
SchneiderGisbert <1965-> |
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Disciplina |
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Soggetti |
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Ligand binding (Biochemistry) |
Biochemistry |
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Lingua di pubblicazione |
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Formato |
Materiale a stampa |
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Livello bibliografico |
Monografia |
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Note generali |
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Description based upon print version of record. |
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Nota di contenuto |
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Protein-Ligand Interactions From Molecular Recognition to Drug Design; Contents; Preface; A Personal Foreword; List of Contributors; List of Abbreviations; Prologue; 1 Prediction of Non-bonded Interactions in Drug Design; 1.1 Introduction; 1.2 Major Contributions to Protein-Ligand Interactions; 1.3 Description of Scoring Functions for Receptor-Ligand Interactions; 1.3.1 Force Field-based Methods; 1.3.2 Empirical Scoring Functions; 1.3.3 Knowledge-based Methods; 1.4 Some Limitations of Current Scoring Functions; 1.4.1 Influence of the Training Data; 1.4.2 Molecular Size |
1.4.3 Water Structure and Protonation State1.5 Application of Scoring |
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Functions in Virtual Screening and De Novo Design; 1.5.1 Successful Identification of Novel Leads Through Virtual Screening; 1.5.2 De novo Ligand Design with LUDI; 1.6 Outlook; 1.7 Acknowledgments; 1.8 References; 2 Introduction to Molecular Recognition Models; 2.1 Introduction and Scope; 2.2 Additivity of Pairwise Interactions - The Chelate Effect; 2.3 Geometric Fitting: The Hole-size Concept; 2.4 Di- and Polytopic Interactions: Change of Binding Mechanism with Different Fit; 2.5 Deviations from the Lock-and-Key Principle |
2.5.1 Strain in Host-Guest Complexes2.5.2 Solvent Effects; 2.5.3 Enthalpy/Entropy Variations; 2.5.4 Loose Fit in Hydrophobically Driven Complex Formation; 2.6 Conformational Pre-organization: Flexible vs. Rigid Hosts; 2.7 Selectivity and Stability in Supramolecular Complexes; 2.8 Induced Fit, Cooperativity, and Allosteric Effects; 2.9 Quantification of Non-covalent Forces; 2.9.1 Ion Pairs and Electrostatic Donor-Acceptor Interactions; 2.9.2 Hydrogen Bonds; 2.9.3 Weak Hydrogen Bonds: The Use of Intramolecular ""Balances"; 2.9.4 Polarization Effects; 2.9.5 Dispersive Interactions |
2.10 Conclusions2.11 References; 3 Experimental Approaches to Determine the Thermodynamics of Protein-Ligand Interactions; 3.1 Introduction; 3.2 Basic Thermodynamics of Protein-Ligand Interactions; 3.3 Measurement of Thermodynamic Parameters; 3.3.1 Calorimetric Determination of Thermodynamic Parameters; 3.3.2 van't Hoff Determination of Thermodynamic Parameters; 3.3.2.1 Relationship to Equilibrium Constant; 3.3.2.2 Obtaining the Equilibrium Constant; 3.4 Applications; 3.4.1 Calorimetric Determination of Thermodynamic Parameters; 3.4.2 van't Hoff Determination of Thermodynamic Parameters |
3.5 Caveats3.6 Summary; 3.7 References; 4 The Biophore Concept; 4.1 Introduction; 4.2 Methodology for Pharmacophore Detection and Searching; 4.2.1 Definition of Pharmacophoric Groups; 4.2.2 Ligand-based Methods for Pharmacophore Perception; 4.2.3 Protein Structure-based Pharmacophore Perception; 4.2.4 Methods for Pharmacophore Searching; 4.3 Pharmacophore Fingerprints; 4.4 Applications of the Biophore Concept; 4.4.1 Lead Generation; 4.4.2 Multi-pharmacophore Descriptors in Diversity Analysis and Library Design; 4.4.3 Structure-based Design; 4.5 The Biophore Concept in ADME Prediction |
4.6 Summary |
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Sommario/riassunto |
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The lock-and-key principle formulated by Emil Fischer as early as the end of the 19th century has still not lost any of its significance for the life sciences. The basic aspects of ligand-protein interaction may be summarized under the term 'molecular recognition' and concern the specificity as well as stability of ligand binding. Molecular recognition is thus a central topic in the development of active substances, since stability and specificity determine whether a substance can be used as a drug. Nowadays, computer-aided prediction and intelligent molecular design make a large contributio |
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