Current Computer-Aided Drug Design

Subhash C. Basak
Departments of Chemistry, Biochemistry & Molecular Biology University of Minnesota Duluth
Duluth, MN 55811
USA

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Most Cited Article

QSAR in Flavonoids by Similarity Cluster Prediction

Volume:10   Issue:2
Pp: 115-128
Alexandra M. Harsa, Teodora E. Harsa, Sorana D. Bolboaca and Mircea V. Diudea
DOI: 10.2174/1573409910666140410104542

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3D-QSAR Approaches in Drug Design: Perspectives to Generate Reliable CoMFA Models

Volume:10   Issue:2
Pp: 148-159
Cleber Camilo Melo-Filho, Rodolpho Campos Braga and Carolina Horta Andrade
DOI: 10.2174/1573409910666140410111043

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QSAR Multi-Target in Drug Discovery: A Review

Volume:10   Issue:2
Pp: 129-136
Riccardo Zanni, María Galvez-Llompart, Jorge Galvez and Ramon García-Domenech
DOI: 10.2174/157340991002140708105124

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QSAR Models for Anti-Malarial Activity of 4-Aminoquinolines

Volume:10   Issue:1
Pp: 75-82
Vijay H. Masand, Andrey A. Toropov, Alla P. Toropova and Devidas T. Mahajan
DOI: 10.2174/1573409910666140303114621

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QSAR Analysis and Molecular Docking Simulation of Suggested Peptidomimetic NS3 Protease Inhibitors

Volume:10   Issue:1
Pp: 28-40
Hamdy I.A. Mostafa, Nihal. S. El-bialy, Ahmed A. Ezat, Noha. A. Saleh and Medhat A. Ibrahim
DOI: 10.2174/15734099113096660048

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Molecular Properties Prediction, Docking Studies, and Antimicrobial Screening of 1,3,4-Thiadiazole and s-Triazole Derivatives

Volume:10   Issue:1
Pp: 3-14
Agata Siwek, Tomasz Plech, Joanna Stefanska, Pawel Staczek and Aleksandra Strzelczyk
DOI: 10.2174/15734099113096660033

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Characteristics of Influenza HA-NA Interdependence Determined Through a Graphical Technique

Volume:10   Issue:4
Pp: 285-302
Ashesh Nandy, Tapati Sarkar, Subhash C. Basak, Papiya Nandy and Sukhen Das
DOI: 10.2174/1573409911666150318203621

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Computationally Designed Atovaquone Prodrugs Based on Bruices Enzyme Model

Volume:10   Issue:1
Pp: 15-27
Rafik Karaman, Beesan Fattash, Genarro Mecca and Maryam Bader
DOI: 10.2174/15734099113096660049

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Prediction of Mutagenicity of Chemicals from Their Calculated Molecular Descriptors: A Case Study with Structurally Homogeneous versus Diverse Datasets promotion: free to download

Volume:11   Issue:2
Pp: 117-123
Subhash C. Basak and Subhabrata Majumdar
DOI: 10.2174/1871524915666150722121322

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Marine Natural Products as Acetylcholinesterase Inhibitor: Comparative Quantum Mechanics and Molecular Docking Study promotion: free to download

Volume:10   Issue:1
Pp: 83-95
Maryam Farrokhnia and Iraj Nabipour
DOI: 10.2174/1573409910666140408155615

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Assessing the Validity of QSARs for Ready Biodegradability of Chemicals: An Applicability Domain Perspective

Volume:10   Issue:2
Pp: 137-147
Faizan Sahigara, Davide Ballabio, Roberto Todeschini and Viviana Consonni
DOI: 10.2174/1573409910666140410110241

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Lacosamide Derivatives with Anticonvulsant Activity as Carbonic Anhydrase Inhibitors. Molecular Modeling, Docking and QSAR Analysis

Volume:10   Issue:2
Pp: 160-167
Juan C. Garro Martinez, Esteban G. Vega-Hissi, Matias F. Andrada, Pablo R. Duchowicz, Francisco Torrens and Mario R. Estrada
DOI: 10.2174/1573409910666140410123706

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Characterizing the Zika Virus Genome – A Bioinformatics Study promotion: free to download

Volume:12   Issue:2
Pp: 87-97
Ashesh Nandy, Sumanta Dey, Subhash C. Basak, Dorota Bielinska-Waz and Piotr Waz
DOI: 10.2174/1573409912666160401115812

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Artificial Neural Network Analysis of Pharmacokinetic and Toxicity Properties of Lead Molecules for Dengue Fever, Tuberculosis and Malaria

Volume:12   Issue:1
Pp: 52-61
Shahul H. Nilar, Suresh B. Lakshminarayana, Ngai Ling Ma, Thomas H. Keller, Francesca Blasco and Paul W. Smith
DOI: 10.2174/1573409912999160112113539

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Intercorrelation of Major DNA/RNA Sequence Descriptors - A Preliminary Study

Volume:12   Issue:3
Pp: 216-228
Dwaipayan Sen, Subhadeep Dasgupta, Indrajit Pal, Smarajit Manna, Subhash C. Basak, Ashesh Nandy and Gregory D. Grunwald
DOI: 10.2174/1573409912666160525111918

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2D and 3D-QSAR analysis of pyrazole-thiazolinone derivatives as EGFR kinase inhibitors by CoMFA and CoMSIA

Volume:11   Issue:4
Pp: 292-303
Eslam Pourbasheer, Reza Aalizadeh, Hamid Mohammad Shiri, Alireza Banaei and Mohammad Reza Ganjali
DOI: 10.2174/1573409912666151106120058

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