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QSAR and QSPR model interpretation using partial least squares (PLS) analysis

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DOI: 10.2174/157340912800492357


Quantum mechanical scoring: Structural and energetic insights into cyclin-dependent kinase 2 inhibition by pyrazolo[1,5-a]pyrimidines

, 2013; 9(1): 118-129

Brahmkshatriya P.S., Dobes P., Fanfrlik J., Rezac J., Paruch K., Bronowska A., Lepsik M., Hobza P.


DOI: 10.2174/1573409911309010011


CoMFA and CoMSIA studies on aryl carboxylic acid amide derivatives as dihydroorotate dehydrogenase (DHODH) inhibitors vivek k. vyas

, 2012; 8(4): 271-282

Vyas V.K., Ghate M.


DOI: 10.2174/157340912803519598


Electrotopological state atom (E-State) index in drug design, QSAR, property prediction and toxicity assessment

, 2012; 8(2): 135-158

Roy K., Mitra I.


DOI: 10.2174/157340912800492366


First-principles modeling of biological systems and structure-based drug-design

, 2013; 9(1): 15-34

Sgrignani J., Magistrato A.


DOI: 10.2174/1573409911309010003


Towards the chemoinformatic-based identification of DNA methyltransferase inhibitors: 2D-and 3D-similarity profile of screening libraries

, 2012; 8(4): 317-329

Yoo J., Medina-Franco J.L.


DOI: 10.2174/157340912803519606


Modeling anti-HIV compounds: The role of analogue-based approaches

, 2012; 8(3): 224-248

Srivastava H.K., Bohari M.H., Sastry G.N.


DOI: 10.2174/157340912801619085


An Integrated drug development approach applying topological descriptors

, 2012; 8(3): 172-181

Talevi A., Bellera C.L., Di Ianni M., Duchowicz P.R., Bruno-Blanch L.E., Castro E.A.


DOI: 10.2174/157340912801619076


Molecular docking and ADME studies of natural compounds of agarwood oil for topical anti-inflammatory activity

, 2013; 9(3): 360-370

Yadav D.K., Mudgal V., Agrawal J., Maurya A.K., Bawankule D.U., Chanotiya C.S., Khan F., Thul S.T.


DOI: 10.2174/1573409911309030012



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