| Foreword |
| Preface |
| Role of Fluctuations in Quinone Reductase Hydride Transfer: A Combined Quantum Mechanics and Molecular Dynamics Study / G. Cavelier ; L. M. Amzel |
| Ligand Binding, Protein Fluctuations, and Allosteric Free Energy / M. E. Wall |
| Ligand Docking and Virtual Screening in Structure-Based Drug Discovery / C. N. Cavasotto |
| The Mechanical Opening of DNA and the Sequence Content / S. Cocco ; R. Monasson |
| Structural Bioinformatics: Advances and Applications / A. Giorgetti ; D. Raimondo ; A. Tramontano |
| Single-Domain Protein Folding: A Multi-Faceted Problem / I. Junier ; F. Ritort |
| Active Sites by Computational Protein Design / P. Tortosa ; A. Jaramillo |
| The Effects of H-Bond Cooperativity upon the Secondary Structures of Peptides / J. J. Dannenberg |
| Effects of Constraints in General Branched Molecules: A Quantitative ab initio Study in HCO-L-Ala-NH[subscript 2] / P. Echenique ; J. L. Alonso ; I. Calvo |
| Multiscale Modeling of Tumor Cell Migration / M. H. Zaman |
| Variable-Barrier Modeling of Equilibrium Protein Folding / J. M. Sanchez-Ruiz |
| FurA from Anabaena PCC 7120: New Insights on Its Regulation and the Interaction with DNA / J. A. Hernandez ; S. Lopez-Gomollon ; S. Pellicer ; B. Martin ; E. Sevilla ; M. T. Bes ; M. L. Peleato ; M. F. Fillat |
| Analysis of Apoflavodoxin Folding Behavior with Elastic Network Models / M. Cotallo-Aban ; D. Prada-Gracia ; J. J. Mazo ; P. Buscolini ; F. Falo ; J. Sancho |
| Current Trends in the Modeling of Biological Networks / Y. Moreno ; L. M. Floria ; J. Gomez-Gardenes |
| Unspecific Cooperative Ligand Binding to One-Dimensional Lattice-Like Macromolecules / A. Velazquez-Campoy |
| New Computational Approaches for NMR-Based Drug Design: A Protocol for Ligand Docking to Flexible Target Sites / L. Gracia ; J. A. Speidel ; H. Weinstein |
| Sequence and Phylogenetic Analysis of FAD Synthetase / L. Schubert ; S. Frago ; M. Martinez-Julvez ; M. Medina |
| Tissue-Specific Ctrl Gene Expression and in silico Analysis of its Putative Protein Product / S. A. Samsonov ; E. Nordlund ; N. A. Platonova ; A. N. Skvortsov ; N. V. Tsymbalenko ; L. V. Puchkova |
| A Particle-Based Implicit Solvent Model for Biomolecular Simulations / N. Basdevant ; T. Ha-Duong ; D. Borgis |
| Mechanisms of Metal Ion Activation of the Diphtheria Toxin Repressor DtxR / J. A. D'Aquino ; D. Ringe |
| List of Participants |
| Author Index |
| Foreword |
| Preface |
| Role of Fluctuations in Quinone Reductase Hydride Transfer: A Combined Quantum Mechanics and Molecular Dynamics Study / G. Cavelier ; L. M. Amzel |
| Ligand Binding, Protein Fluctuations, and Allosteric Free Energy / M. E. Wall |
| Ligand Docking and Virtual Screening in Structure-Based Drug Discovery / C. N. Cavasotto |
| The Mechanical Opening of DNA and the Sequence Content / S. Cocco ; R. Monasson |
