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Journal of Molecular Graphics & Modelling|April 10, 2013
Modeling of the energies and splitting of the Qx and Qy bands in positional isomers of zinc pyridinoporphyrazines by TDDFT approach: can TDDFT help distinguishing the structural isomers?Yunling Gao, Victor N NemykinJournal of Molecular Graphics & Modelling|June 11, 2013
Is the conformational flexibility of piperazine derivatives important to inhibit HIV-1 replication?Cátia Teixeira, Nawal Serradji, Souad Amroune, et al.Journal of Molecular Graphics & Modelling|July 24, 2013
Characterization and comparison of pore landscapes in crystalline porous materialsMarielle Pinheiro, Richard L Martin, Chris H Rycroft, et al.Journal of Molecular Graphics & Modelling|July 25, 2013
Structural and functional insights on folate receptor α (FRα) by homology modeling, ligand docking and molecular dynamicsStefano Della-Longa, Alessandro ArcovitoJournal of Molecular Graphics & Modelling|June 25, 2013
Prediction of boiling points of organic compounds by QSPR toolsYi-min Dai, Zhi-ping Zhu, Zhong Cao, et al.Journal of Molecular Graphics & Modelling|October 8, 2013
Probing the influence of solvent effect on the lithium ion binding affinity of 12-crown-O3N derivatives with unsaturated side arms: a computational studyRajesh Patidar, Parimal Paul, Bishwajit GangulyJournal of Molecular Graphics & Modelling|March 13, 2002
A proposed 3D structure for crotamine based on homology building, molecular simulations and circular dichroismA M Siqueira, N F Martins, M E De Lima, et al.Journal of Molecular Graphics & Modelling|October 24, 2009
Pharmacophore and QSAR modeling of estrogen receptor beta ligands and subsequent validation and in silico search for new hitsMutasem O Taha, Mai Tarairah, Hiba Zalloum, et al.Journal of Molecular Graphics & Modelling|December 6, 2005
Evaluation of a neural networks QSAR method based on ligand representation using substituent descriptors. Application to HIV-1 protease inhibitorsAdina-Luminiţa Milac, Speranţa Avram, Andrei-José PetrescuJournal of Molecular Graphics & Modelling|December 29, 2009
Structural comparison of mu-opioid receptor selective peptides confirmed four parameters of bioactivityAttila Borics, Géza TóthPageof 401