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Current Computer-Aided Drug Design aims to publish all the latest developments in drug design based on computational techniques. The field of computer-aided drug design has had extensive impact in the area of drug design. Current Computer-Aided Drug Design is an essential journal for all medicinal chemists who wish to be kept informed and up-to-date with all the latest and important developments in computer-aided methodologies and their applications in drug discovery. Each issue contains a series of timely, in-depth reviews written by leaders in the field, covering a range of computational techniques for drug design, screening, ADME studies, etc., providing excellent rationales for drug development.

Publisher: Bentham Science Publishers

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Volume 9, Number 1, 2013

Articles

Pharmacophore Modeling, Virtual and In Vitro Screening for Acetylcholinesterase Inhibitors and their Effects on Amyloid-β Self- Assembly
pp. 2-14(13)
Authors: Bag, Seema; Tulsan, Rekha; Sood, Abha; Datta, Silpi; Torok, Marianna

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First-Principles Modeling of Biological Systems and Structure-Based Drug-Design
pp. 15-34(20)
Authors: Sgrignani, Jacopo; Magistrato, Alessandra

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Cycloxygenase-2 (COX-2) - A Potential Target for Screening of Small Molecules as Radiation Countermeasure Agents: An In Silico Study
pp. 35-45(11)
Authors: Joshi, Jayadev; K. Barik, Tapan; Shrivastava, Nitisha; Dimri, Manali; Ghosh, Subhajit; S. Mandal, Rahul; Ramachandran, Srinivasan; P. Kumar, Indracanti

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Efficacy Prediction of Jamu Formulations by PLS Modeling
pp. 46-59(14)
Authors: M. Afendi, Farit; K. Darusman, Latifah; Hirai Morita, Aki; Altaf-Ul-Amin, Md.; Takahashi, Hiroki; Nakamura, Kensuke; Tanaka, Ken; Kanaya, Shigehiko

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Structure-Based Development of Antagonists for Chemokine Receptor CXCR4
pp. 60-75(16)
Authors: Zhang, Chongqian; Hou, Tingjun; Feng, Zhiwei; Li, Youyong

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Computational Modeling of Environmentally Responsive Hydrogels (ERH) for Drug Delivery System
pp. 76-82(7)
Authors: Krishnan Namboori, P.K.; Ranjini, U.P.; A. Manakadan, Asha; Jose, Anila; Silvipriya, K.S.; Belzik, N.; Deepak, O.M.

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Post-Docking Optimization and Analysis of Protein-Ligand Interactions of Estrogen Receptor Alpha using AMMOS Software
pp. 83-94(12)
Authors: Pencheva, Tania; Jereva, Dessislava; A. Miteva, Maria; Pajeva, Ilza

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QSAR Modeling for the Antimalarial Activity of 1,4-Naphthoquinonyl Derivatives as Potential Antimalarial Agents
pp. 95-107(13)
Authors: Luan, Feng; Xu, Xuan; Natalia Dias Soeiro Cordeiro, Maria; Liu, Huitao; Zhang, Xiaoyun

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Biomedical Data Integration in Computational Drug Design and Bioinformatics
pp. 108-117(10)
Authors: A. Seoane, Jose; Aguiar-Pulido, Vanessa; R. Munteanu, Cristian; Rivero, Daniel; R. Rabunal, Juan; Dorado, Julian; Pazos, Alejandro

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Quantum Mechanical Scoring: Structural and Energetic Insights into Cyclin-Dependent Kinase 2 Inhibition by Pyrazolo[1,5-a]pyrimidines
pp. 118-129(12)
Authors: S. Brahmkshatriya, Pathik; Dobes, Petr; Fanfrlik, Jindrich; Rezac, Jan; Paruch, Kamil; Bronowska, Agnieszka; Lepsík, Martin; Hobza, Pavel

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Artificial Neural Networks Based on CODES Descriptors in Pharmacology: Identification of Novel Trypanocidal Drugs against Chagas Disease
pp. 130-140(11)
Authors: Guerra, Angela; Gonzalez-Naranjo, Pedro; E. Campillo, Nuria; Cerecetto, Hugo; Gonzalez, Mercedes; A. Paez, Juan

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QSAR Study of Curcumine Derivatives as HIV-1 Integrase Inhibitors
pp. 141-150(10)
Authors: Gupta, Pawan; Sharma, Anju; Garg, Prabha; Roy, Nilanjan

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