Frontiers in Computational Chemistry: Volume 2 /

By: Ul-Haq, ZaheerMaterial type: TextTextPublication details: Elsevier, 2016ISBN: 9781608059799Online resources: Click here to access online
Contents:
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
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e-Books e-Books Central Library, Sikkim University
Not for loan E-292
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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



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