Contents
Current Computer-Aided Drug Design, Volume 9 - Number 1
Editorial
Pharmacophore Modeling, Virtual and In Vitro Screening for Acetylcholinesterase Inhibitors and their Effects on Amyloid-β Self- Assembly
, 9(1): 2 - 14Seema Bag, Rekha Tulsan, Abha Sood, Silpi Datta and Marianna Torok
DOI: 10.2174/1573409911309010002
First-Principles Modeling of Biological Systems and Structure-Based Drug-Design
, 9(1): 15 - 34Jacopo Sgrignani and Alessandra Magistrato
DOI: 10.2174/1573409911309010003
Cycloxygenase-2 (COX-2) - A Potential Target for Screening of Small Molecules as Radiation Countermeasure Agents: An In Silico Study
, 9(1): 35 - 45Jayadev Joshi, Tapan K. Barik, Nitisha Shrivastava, Manali Dimri, Subhajit Ghosh, Rahul S. Mandal, Srinivasan Ramachandran and Indracanti P. Kumar
DOI: 10.2174/1573409911309010004
Efficacy Prediction of Jamu Formulations by PLS Modeling
, 9(1): 46 - 59Farit M. Afendi, Latifah K. Darusman, Aki Hirai Morita, Md. Altaf-Ul-Amin, Hiroki Takahashi, Kensuke Nakamura, Ken Tanaka and Shigehiko Kanaya
DOI: 10.2174/1573409911309010005
Structure-Based Development of Antagonists for Chemokine Receptor CXCR4
, 9(1): 60 - 75Chongqian Zhang, Tingjun Hou, Zhiwei Feng and Youyong Li
DOI: 10.2174/1573409911309010006
Computational Modeling of Environmentally Responsive Hydrogels (ERH) for Drug Delivery System
, 9(1): 76 - 82P.K. Krishnan Namboori, U.P. Ranjini, Asha A. Manakadan, Anila Jose, K.S. Silvipriya, N. Belzik and O.M. Deepak
DOI: 10.2174/1573409911309010007
Post-Docking Optimization and Analysis of Protein-Ligand Interactions of Estrogen Receptor Alpha using AMMOS Software
, 9(1): 83 - 94Tania Pencheva, Dessislava Jereva, Maria A. Miteva and Ilza Pajeva
DOI: 10.2174/1573409911309010008
QSAR Modeling for the Antimalarial Activity of 1,4-Naphthoquinonyl Derivatives as Potential Antimalarial Agents
, 9(1): 95 - 107Feng Luan, Xuan Xu, Maria Natalia Dias Soeiro Cordeiro, Huitao Liu and Xiaoyun Zhang
DOI: 10.2174/1573409911309010009
Biomedical Data Integration in Computational Drug Design and Bioinformatics
, 9(1): 108 - 117Jose A. Seoane, Vanessa Aguiar-Pulido, Cristian R. Munteanu, Daniel Rivero, Juan R. Rabunal, Julian Dorado and Alejandro Pazos
DOI: 10.2174/15734099112089990011
Quantum Mechanical Scoring: Structural and Energetic Insights into Cyclin-Dependent Kinase 2 Inhibition by Pyrazolo[1,5-a]pyrimidines
, 9(1): 118 - 129Pathik S. Brahmkshatriya, Petr Dobes, Jindrich Fanfrlik, Jan Rezac, Kamil Paruch, Agnieszka Bronowska, Martin Lepsík and Pavel Hobza
DOI: 10.2174/1573409911309010011
Artificial Neural Networks Based on CODES Descriptors in Pharmacology: Identification of Novel Trypanocidal Drugs against Chagas Disease
, 9(1): 130 - 140Angela Guerra, Pedro Gonzalez-Naranjo, Nuria E. Campillo, Hugo Cerecetto, Mercedes Gonzalez and Juan A. Paez
DOI: 10.2174/1573409911309010012
QSAR Study of Curcumine Derivatives as HIV-1 Integrase Inhibitors
, 9(1): 141 - 150Pawan Gupta, Anju Sharma, Prabha Garg and Nilanjan Roy
DOI: 10.2174/1573409911309010013
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