000			nam a22 4500
999			_c194442 _d194442
020			_a9781608059799
040			_cDepartment of Chemistry
100			_aUl-Haq, Zaheer
245			_aFrontiers in Computational Chemistry: Volume 2 /
260			_bElsevier, _c2016.
505			_aChapter 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
856			_uhttp://www.sciencedirect.com/science/book/9781608059799
942			_cEBK