Frontiers in Computational Chemistry: Volume 2 /
- Elsevier, 2016.
Chapter 1 - The Use of Dedicated Processors to Accelerate the Identification of Novel Antibacterial Peptides Gabriel del Rio, Miguel Arias-Estrada and Carlos Polanco González
Chapter 2 - Computational Chemistry for Photosensitizer Design and Investigation of DNA Damage Kazutaka Hirakawa
Chapter 3 - How to Judge Predictive Quality of Classification and Regression Based QSAR Models? Kunal Roy and Supratik Kar
Chapter 4 - Density Functional Studies of Bis-alkylating Nitrogen Mustards Pradip Kr. Bhattacharyya, Sourab Sinha, ... Bhabesh Chandra Deka
Chapter 5 - From Conventional Prodrugs to Prodrugs Designed by Molecular Orbital Methods Rafik Karaman
Chapter 6 - Structural and Vibrational Investigation on a Benzoxazin Derivative with Potential Antibacterial Activity María V. Castillo, Elida Romano, ... Silvia A. Brandán
Chapter 7 - First Principles Computational Biochemistry with deMon2k A. Alvarez-Ibarra, P. Calaminici, ... A.M. Köster
Chapter 8 - Recent Advances in Computational Simulations of Lipid Bilayer Based Molecular Systems R. Galeazzi, E. Laudadio and L. Massaccesi
Chapter 9 - Data Quality Assurance and Statistical Analysis of High Throughput Screenings for Drug Discovery Yang Zhong, Zuojun Guo and Jianwei Che