Frontiers in Computational Chemistry: Volume 1 /
- Elsevier, 2016.
Chapter 1 - Computational Strategies to Incorporate GPCR Complexity in Drug Design Maria Marti-Solano, Agnieszka A. Kaczor, ... Jana Selent
Chapter 2 - Knowledge-Based Drug Repurposing: A Rational Approach Towards the Identification of Novel Medical Applications of Known Drugs Carolina L. Bellera, Mauricio E. Di Ianni, ... Alan Talevi
Chapter 3 - Tuning the Solvation Term in the MM-PBSA/GBSA Binding Affinity Predictions Irene Maffucci and Alessandro Contini
Chapter 4 - Recent Advances in the Discovery and Development of Protein-Protein Interaction Modulators by Virtual Screening Dik-Lung Ma, Li-Juan Liu, ... Chung-Hang Leung
Chapter 5 - Computational Design of Biological Systems: From Systems to Synthetic Biology Milsee Mol and Shailza Singh
Chapter 6 - Considering the Medium when Studying Biologically Active Molecules: Motivation, Options and Challenges Liliana. Mammino and Mwadham M. Kabanda
Chapter 7 - A Novel Coarse-Grained Description of Protein Structure and Folding by UNRES Force Field and Discrete Nonlinear Schrödinger Equation Adam Liwo, Antti Niemi, ... Adam K. Sieradzan
Chapter 8 - Computational Chemistry Strategies Tackling Function and Inhibition of Pharmaceutically Relevant Targets Michele Cascella, Matteo Dal Peraro and Marco De Vivo