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  • 1
    Online Resource
    Online Resource
    Biomolecular modelling and simulations / (2014)
    London :Elsevier,
    Details
    UID:
    edoccha_9960074058302883
    Format: 1 online resource (331 p.)
    Edition: First edition.
    ISBN: 0-12-800789-3
    Series Statement: Advances in protein chemistry and structural biology, volume 96
    Content: Published continuously since 1944, the Advances in Protein Chemistry and Structural Biology series is the essential resource for protein chemists. Each volume brings forth new information about protocols and analysis of proteins. Each thematically organized volume is guest edited by leading experts in a broad range of protein-related topics. Describes advances in biomolecular modelling and simulationsChapters are written by authorities in their fieldTargeted to a wide audience of researchers, specialists, and studentsThe information provided in the volume is well supported by a number of high
    Note: Description based upon print version of record. , Front Cover; Biomolecular Modelling and Simulations; Copyright; Contents; Contributors; Preface; References; Chapter 1: The Interplay Between Molecular Modeling and Chemoinformatics to Characterize Protein-Ligand and Protein-Prote...; 1. Introduction; 2. Characterizing PLIs with Fingerprints; 3. Visualization of PLIs and PLIFs: The PLIs Space; 3.1. 2D Schematic diagrams of PLIs; 3.2. Representation and application of PLIFs as 3D pharmacophore models; 3.3. Visualization of PLIFs using the concept of chemical space; 4. Exploring SPLIRs; 4.1. Activity landscape: Activity cliffs and hot spots , 4.2. 3D Activity Cliffs4.3. Structure-based activity cliffs and hot spots; 4.4. Activity cliff generators and structural interpretation; 4.5. Interaction cliffs; 5. Target-Ligand Relationships in Chemogenomics Data Sets; 5.1. Analyzing chemogenomic sets using target-ligand networks; 5.2. Proteochemometric modeling; 6. Protein-Protein Interactions; 7. Conclusions; Acknowledgments; References; Chapter Two: Computational Study of Putative Residues Involved in DNA Synthesis Fidelity Checking in Thermus aquaticus DN...; 1. Introduction; 2. Methods; 2.1. Preparation of crystal structures , 2.2. MD simulations2.3. NCI calculations; 2.4. Energy decomposition analysis; 2.5. EFER analysis; 3. Results and Discussion; 4. Conclusions; References; Chapter Three: New Strategies for Integrative Dynamic Modeling of Macromolecular Assembly; 1. Introduction; 2. Predicting Protein-Protein Recognition at the Atomistic Level; 3. Tackling Protein-Protein Interactions at Coarse-Grained Resolution; 4. Predicting Protein Assembly Using Integrative Modeling; 5. Conclusions and Perspectives; Acknowledgments; References; Chapter Four: Stability of Amyloid Oligomers; 1. Introduction , 2. Effect of Force Field on the Preformed Oligomer3. Role of Mutations; 4. Stability of Cylindrin β-Barrel Amyloid Oligomer Models; 5. Amyloid Polymorphism; 6. Amyloid Aggregation and Cross Seeding; 7. Toxicity Mechanism of Amyloid from Molecular Dynamic Simulations; 8. Conclusions and Outlook; Acknowledgments; References; Chapter Five: Recent Advances in Transferable Coarse-Grained Modeling of Proteins; 1. Introduction; 2. CG Models of Protein; 2.1. UNRES model; 2.2. MARTINI model; 2.3. OPEP model; 2.4. SCORPION model; 2.5. PaLaCe model; 2.6. Bereau and Deserno model; 2.7. PRIMO model , 2.8. GBEMP model2.9. PRIME model; 3. Hybrid All-atom/Coarse-Grained (AA/CG) Modeling of Proteins; 3.1. PACE model; 3.2. ATTRACT model; 3.3. Promising hybrid models; 4. Outlook; 5. Conclusions; Acknowledgment; References; Chapter Six: Studying Allosteric Regulation in Metal Sensor Proteins Using Computational Methods; 1. Introduction; 2. Methods; 2.1. Classical MD simulations; 2.1.1. Metal ion force fields; 2.1.2. Preparing the proteins for simulation; 2.1.3. Simulation protocols; 2.2. QM/MM and QM/MM MD calculations; 3. Understanding Protein-DNA Interactions , 3.1. Conformational changes: open and closed conformations , English
    Additional Edition: ISBN 1-322-23603-8
    Additional Edition: ISBN 0-12-800013-9
    Language: English
    Library Location Call Number Volume/Issue/Year Availability
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    Online Resource
    Charité
  • 2
    Online Resource
    Online Resource
    Biomolecular modelling and simulations / (2014)
    London :Elsevier,
    Details
    UID:
    edocfu_9960074058302883
    Format: 1 online resource (331 p.)
    Edition: First edition.
    ISBN: 0-12-800789-3
    Series Statement: Advances in protein chemistry and structural biology, volume 96
    Content: Published continuously since 1944, the Advances in Protein Chemistry and Structural Biology series is the essential resource for protein chemists. Each volume brings forth new information about protocols and analysis of proteins. Each thematically organized volume is guest edited by leading experts in a broad range of protein-related topics. Describes advances in biomolecular modelling and simulationsChapters are written by authorities in their fieldTargeted to a wide audience of researchers, specialists, and studentsThe information provided in the volume is well supported by a number of high
    Note: Description based upon print version of record. , Front Cover; Biomolecular Modelling and Simulations; Copyright; Contents; Contributors; Preface; References; Chapter 1: The Interplay Between Molecular Modeling and Chemoinformatics to Characterize Protein-Ligand and Protein-Prote...; 1. Introduction; 2. Characterizing PLIs with Fingerprints; 3. Visualization of PLIs and PLIFs: The PLIs Space; 3.1. 2D Schematic diagrams of PLIs; 3.2. Representation and application of PLIFs as 3D pharmacophore models; 3.3. Visualization of PLIFs using the concept of chemical space; 4. Exploring SPLIRs; 4.1. Activity landscape: Activity cliffs and hot spots , 4.2. 3D Activity Cliffs4.3. Structure-based activity cliffs and hot spots; 4.4. Activity cliff generators and structural interpretation; 4.5. Interaction cliffs; 5. Target-Ligand Relationships in Chemogenomics Data Sets; 5.1. Analyzing chemogenomic sets using target-ligand networks; 5.2. Proteochemometric modeling; 6. Protein-Protein Interactions; 7. Conclusions; Acknowledgments; References; Chapter Two: Computational Study of Putative Residues Involved in DNA Synthesis Fidelity Checking in Thermus aquaticus DN...; 1. Introduction; 2. Methods; 2.1. Preparation of crystal structures , 2.2. MD simulations2.3. NCI calculations; 2.4. Energy decomposition analysis; 2.5. EFER analysis; 3. Results and Discussion; 4. Conclusions; References; Chapter Three: New Strategies for Integrative Dynamic Modeling of Macromolecular Assembly; 1. Introduction; 2. Predicting Protein-Protein Recognition at the Atomistic Level; 3. Tackling Protein-Protein Interactions at Coarse-Grained Resolution; 4. Predicting Protein Assembly Using Integrative Modeling; 5. Conclusions and Perspectives; Acknowledgments; References; Chapter Four: Stability of Amyloid Oligomers; 1. Introduction , 2. Effect of Force Field on the Preformed Oligomer3. Role of Mutations; 4. Stability of Cylindrin β-Barrel Amyloid Oligomer Models; 5. Amyloid Polymorphism; 6. Amyloid Aggregation and Cross Seeding; 7. Toxicity Mechanism of Amyloid from Molecular Dynamic Simulations; 8. Conclusions and Outlook; Acknowledgments; References; Chapter Five: Recent Advances in Transferable Coarse-Grained Modeling of Proteins; 1. Introduction; 2. CG Models of Protein; 2.1. UNRES model; 2.2. MARTINI model; 2.3. OPEP model; 2.4. SCORPION model; 2.5. PaLaCe model; 2.6. Bereau and Deserno model; 2.7. PRIMO model , 2.8. GBEMP model2.9. PRIME model; 3. Hybrid All-atom/Coarse-Grained (AA/CG) Modeling of Proteins; 3.1. PACE model; 3.2. ATTRACT model; 3.3. Promising hybrid models; 4. Outlook; 5. Conclusions; Acknowledgment; References; Chapter Six: Studying Allosteric Regulation in Metal Sensor Proteins Using Computational Methods; 1. Introduction; 2. Methods; 2.1. Classical MD simulations; 2.1.1. Metal ion force fields; 2.1.2. Preparing the proteins for simulation; 2.1.3. Simulation protocols; 2.2. QM/MM and QM/MM MD calculations; 3. Understanding Protein-DNA Interactions , 3.1. Conformational changes: open and closed conformations , English
    Additional Edition: ISBN 1-322-23603-8
    Additional Edition: ISBN 0-12-800013-9
    Language: English
    Library Location Call Number Volume/Issue/Year Availability
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    Online Resource
    FU Berlin
  • 3
    Journal/Serial
    Journal/Serial
    Wissenschaftliche Zeitschrift; Naturwissenschaftliche Reihe (from 1984)
    Jena : Univ. ; 33.1984 - 39.1990; damit Ersch. eingest.
    Show associated volumes
    Details
    UID:
    kobvindex_ZLB13696616
    ISSN: 0043-6836
    Note: 36,5/6=3 von: Internationales Otto-Schott-Kolloquium: Internationales Otto-Schott-Kolloquium (231608-0) , 34,2/3=4 von: Jenaer Myologie-Colloquium: Jenaer Myologie-Colloquium (341229-5) , 37,1=16 von: Arbeitstagung der Botanischen Gärten der Deutschen Demokratischen Republik: Bericht von der Arbeitstagung der Botanischen Gärten der Deutschen Demokratischen Republik (967692-2) , 33,6=12; 37,1=13; 38,2=14 von: Beiträge zur Phytotaxonomie (800013-X) , 33,3=4; 34,4=5, 36,3=6; 38,4/5=7 von: Beiträge zur Ökologie und Landeskultur (13441-7) , Einzelne Bd. zugl. Bd. von: Beiträge zur theoretischen und physikalischen Chemie (27354-5) , 33,4=1; 37,3/4=2 von: Jenaer Internationales Symposium Mikrochirurgie in der Rekonstruktiven und Plastischen Chirurgie: Jenaer Internationales Symposium "Mikrochirurgie in der Rekonstruktiven und Plastischen Chirurgie" (920274-2)
    Former: Wissenschaftliche Zeitschrift der Friedrich-Schiller-Universität Jena
    Language: German
    Keywords: Medizin ; Zeitschrift ; Naturwissenschaften ; Zeitschrift ; Naturwissenschaften ; Zeitschrift ; Zeitschrift ; Zeitschrift
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    Journal/Serial
    Berlin VÖBB/ZLB get availability status
  • 4
    Journal/Serial
    Journal/Serial
    Wissenschaftliche Zeitschrift; Mathematisch-naturwissenschaftliche Reihe (from 1951)
    Jena : [Verlag nicht ermittelbar] ; 1.1951/52 - 32.1983
    Details
    UID:
    kobvindex_ZLB13722801
    ISSN: 0043-6836 , 0448-9454
    Note: Als Ms. gedr. , Beil.: Universitätsbibliothek Jena: Auswahlliste aus den Neuerwerbungen der Universitäts-Bibliothek Jena (381720-9) , 28.1979 darin: Symposium Nebenwirkungen Hormonaler Kontrazeptiva: Symposium Nebenwirkungen Hormonaler Kontrazeptiva (345157-4) , Index: Gesamtinhaltsverzeichnis der wissenschaftlichen Zeitschriften der Universitäten und Hochschulen der Deutschen Demokratischen Republik / Jahresverzeichnis. [Jahresverzeichnis] (216762-1) , 28,4=1 von: Arbeitstagung zur Erforschung der Flora von Cuba: Arbeitstagung zur Erforschung der Flora von Cuba (341125-4) , 17,3=1; 19,3=2; 21,5/6=3; 24,4=4; 27,1=5; 28,4=7; 29,4=8; 31,2=9; 32,6=11 von: Beiträge zur Phytotaxonomie (800013-X) , 24,2/3=3 von: Zentrale Tagung für Medizinisch-Morphologische Präparationstechnik: Zentrale Tagung für Medizinisch-Morphologische Präparationstechnik (341136-9) , 24,2/3=1973/74 von: Colloquia Histochemica: Colloquia Histochemica (341135-7) , 29,3=1; 30,3=2; 32,4/5=3 von: Jenaer Myologie-Colloquium: Jenaer Myologie-Colloquium (341229-5) , 28,2/3=1; 32,2/3=2; von: Internationales Otto-Schott-Kolloquium: Internationales Otto-Schott-Kolloquium (231608-0) , 22,3/4=[1]; 29,2=2; 30,5=3 von: Beiträge zur Ökologie und Landeskultur (13441-7)
    Former: Wissenschaftliche Zeitschrift der Friedrich-Schiller-Universität Jena. 1951-1962
    Later: Nachher Friedrich-Schiller-Universität Jena Wissenschaftliche Zeitschrift
    Language: German
    Keywords: Medizin ; Zeitschrift ; Naturwissenschaften ; Zeitschrift ; Mathematik ; Zeitschrift ; Naturwissenschaften ; Zeitschrift ; Zeitschrift ; Zeitschrift
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    Berlin VÖBB/ZLB get availability status
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