Contents

Current Computer-Aided Drug Design, Volume 9 - Number 1

Editorial

Editorial (Recent Developments and Future Directions at Current Computer Aided Drug Design)

, 9(1): 1

Subhash C. Basak


DOI: 10.2174/1573409911309010001




Pharmacophore Modeling, Virtual and In Vitro Screening for Acetylcholinesterase Inhibitors and their Effects on Amyloid-β Self- Assembly

, 9(1): 2 - 14

Seema 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 - 34

Jacopo 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 - 45

Jayadev 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 - 59

Farit 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 - 75

Chongqian 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 - 82

P.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 - 94

Tania 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 - 107

Feng 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 - 117

Jose 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 - 129

Pathik 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 - 140

Angela 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 - 150

Pawan Gupta, Anju Sharma, Prabha Garg and Nilanjan Roy


DOI: 10.2174/1573409911309010013




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