TY  - BOOK
AU  - Ul-Haq, Zaheer
TI  - Frontiers in Computational Chemistry: Volume 2
SN  - 9781608059799
PY  - 2016///
PB  - Elsevier
N1  - 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




UR  - http://www.sciencedirect.com/science/book/9781608059799
ER  -