Related content

Discovery of novel 5α-reductase type II inhibitors by pharmacophore modelling, virtual screening, molecular docking and molecular dynamics simulations

By Wang Jhih-Lun   Liu Hsuan-Liang   Zhou Zheng-Li   Chen Wei-Hsi   Ho Yih  

Molecular Simulation, Vol. 41, Iss. 4, 2015-03 ,pp. : 287-297

Taylor & Francis Ltd

Access to resources Recommend Favorite

Exploring QSARs for inhibitory effect of a set of heterocyclic thrombin inhibitors by multilinear regression refined by artificial neural network and molecular docking simulations

By Ramírez-Galicia Guillermo   Garduño-Juárez Ramón   Correa-Basurto José   Deeb Omar  

Journal of Enzyme Inhibition and Medicinal Chemistry, Vol. 27, Iss. 2, 2012-04 ,pp. : 174-186

Informa Healthcare

Access to resources Recommend Favorite

Structure prediction and R115866 binding study of human CYP26A1: homology modelling, fold recognition, molecular docking and MD simulations

By Ren J. H.   Xiong X. Q.   Sha Y.   Yan M. C.   Lin B.   Wang J.   Jing Y. K.   Zhao D. M.   Cheng M. S.  

Molecular Simulation, Vol. 34, Iss. 3, 2008-03 ,pp. : 337-346

Taylor & Francis Ltd

Access to resources Recommend Favorite

Molecular flexibility in ab initio drug docking to DNA: binding-site and binding-mode transitions in all-atom Monte Carlo simulations

By Rohs Remo   Bloch Itai   Sklenar Heinz   Shakked Zippora  

Nucleic Acids Research, Vol. 33, Iss. 22, 2005-01 ,pp. : 7048-7057

Oxford University Press

Access to resources Recommend Favorite

Journal of Biomolecular NMR

By  

Journal of Biomolecular NMR, Vol. 31, Iss. 1, 2005-01 ,pp. : 81-85

Springer Publishing Company

Access to resources Recommend Favorite