Biomolecular Modelling and Simulations

1. The Interplay Between Molecular Modeling and Chemoinformatics to Characterize Protein-Ligand and Protein-Protein Interactions Landscapes for Drug Discovery<br>José L. Medina-Franco, Oscar Méndez-Lucio and Karina Martinez-Mayorga<br><br>2. Computational Study of Putative Residues Involved in DNA Synthesis Fidelity Checking in Thermus aquaticus DNA Polymerase I <br>Angela A. Elias and G. Andrés Cisneros<br><br>3. New Strategies for Integrative Dynamic Modeling of Macromolecular Assembly<br>Enrico Spiga, Matteo Thomas Degiacomi and Matteo Dal Peraro<br><br>4. Stability of Amyloid Oligomers<br>Workalemahu M. Berhanu and Ulrich H. E. Hansmann<br><br>5. Recent Advances in Transferable Coarse-Grained Modeling of Proteins<br>Parimal Kar and Michael Feig<br><br>6. Studying Allosteric Regulation in Metal Sensor Proteins Using Computational Methods<br>Dhruva K. Chakravorty, and Kenneth M. Merz<br><br>7. Insights in the Mechanism of Action and Inhibition of N-Acylethanolamine Acid Amidase (NAAA) by means of Computational Methods<br>Alessio Lodola, Silvia Rivara and Marco Mor<br><br>8. CHARMM-GUI PDB Manipulator for Advanced Modeling and Simulations of Proteins Containing Nonstandard Residues<br>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<br><br>9. High-Resolution Modeling of Protein Structures Based on Flexible Fitting of Low-Resolution Structural Data<br>Wenjun Zheng and Mustafa Tekpinar