Biomolecular Modelling and Simulations: Volume 96

Informationen zum Autor Dr. Tatyana Karabencheva-Christova works at the Department of Applied Sciences, University of Northumbria, UK. Klappentext 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. Inhaltsverzeichnis 1. The Interplay Between Molecular Modeling and Chemoinformatics to Characterize Protein-Ligand and Protein-Protein Interactions Landscapes for Drug Discovery José L. Medina-Franco, Oscar Méndez-Lucio and Karina Martinez-Mayorga 2. Computational Study of Putative Residues Involved in DNA Synthesis Fidelity Checking in Thermus aquaticus DNA Polymerase I Angela A. Elias and G. Andrés Cisneros 3. New Strategies for Integrative Dynamic Modeling of Macromolecular Assembly Enrico Spiga, Matteo Thomas Degiacomi and Matteo Dal Peraro 4. Stability of Amyloid Oligomers Workalemahu M. Berhanu and Ulrich H. E. Hansmann 5. Recent Advances in Transferable Coarse-Grained Modeling of Proteins Parimal Kar and Michael Feig 6. Studying Allosteric Regulation in Metal Sensor Proteins Using Computational Methods Dhruva K. Chakravorty, and Kenneth M. Merz 7. Insights in the Mechanism of Action and Inhibition of N-Acylethanolamine Acid Amidase (NAAA) by means of Computational Methods Alessio Lodola, Silvia Rivara and Marco Mor 8. CHARMM-GUI PDB Manipulator for Advanced Modeling and Simulations of Proteins Containing Nonstandard Residues Sunhwan Jo, Xi Cheng, Shahidul M. Islam, Lei Huang, Huan Rui, Allen Zhu, Hui Sun Lee, Yifei Qi, Wei Han, Kenno Vanommeslaeghe, Alexander D. MacKerell, Benoît Roux and Wonpil Im 9. High-Resolution Modeling of Protein Structures Based on Flexible Fitting of Low-Resolution Structural Data Wenjun Zheng and Mustafa Tekpinar ...

Autorentext
Dr. Tatyana Karabencheva-Christova works at the Department of Applied Sciences, University of Northumbria, UK.

Klappentext

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.

Inhalt

1. The Interplay Between Molecular Modeling and Chemoinformatics to Characterize Protein-Ligand and Protein-Protein Interactions Landscapes for Drug Discovery
   José L. Medina-Franco, Oscar Méndez-Lucio and Karina Martinez-Mayorga

   2. Computational Study of Putative Residues Involved in DNA Synthesis Fidelity Checking in Thermus aquaticus DNA Polymerase I
      Angela A. Elias and G. Andrés Cisneros

   3. New Strategies for Integrative Dynamic Modeling of Macromolecular Assembly
      Enrico Spiga, Matteo Thomas Degiacomi and Matteo Dal Peraro

   4. Stability of Amyloid Oligomers
      Workalemahu M. Berhanu and Ulrich H. E. Hansmann

   5. Recent Advances in Transferable Coarse-Grained Modeling of Proteins
      *Parimal Kar and Michael Feig

   6. Studying Allosteric Regulation in Metal Sensor Proteins Using Computational Methods
   Dhruva K. Chakravorty, and Kenneth M. Merz*

   7. Insights in the Mechanism of Action and Inhibition of N-Acylethanolamine Acid Amidase (NAAA) by means of Computational Methods
      Alessio Lodola, Silvia Rivara and Marco Mor

   8. CHARMM-GUI PDB Manipulator for Advanced Modeling and Simulations of Proteins Containing Nonstandard Residues
      Sunhwan Jo, Xi Cheng, Shahidul M. Islam, Lei Huang, Huan Rui, Allen Zhu, Hui Sun Lee, Yifei Qi, Wei Han, Kenno Vanommeslaeghe, Alexander D. MacKerell, Benoît Roux and Wonpil Im

   9. High-Resolution Modeling of Protein Structures Based on Flexible Fitting of Low-Resolution Structural Data
      Wenjun Zheng and Mustafa Tekpinar