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Journal of Molecular Graphics & Modelling|July 1, 2011
The effect of β-saturated pyrrolic rings on the electronic structures and aromaticity of magnesium porphyrin derivatives: a density functional studyLiang Wan, Dongdong Qi, Yuexing ZhangJournal of Molecular Graphics & Modelling|August 2, 2011
Potential interaction of natural dietary bioactive compounds with COX-2Wilson Maldonado-Rojas, Jesus Olivero-VerbelJournal of Molecular Graphics & Modelling|August 2, 2011
QM/MM studies on the glycosylation mechanism of rice BGlu1 β-glucosidaseJinhu Wang, Qianqian Hou, Lihua Dong, et al.Journal of Molecular Graphics & Modelling|August 2, 2011
OligoPred: a web-server for predicting homo-oligomeric proteins by incorporating discrete wavelet transform into Chou's pseudo amino acid compositionJian-Ding Qiu, Sheng-Bao Suo, Xing-Yu Sun, et al.Journal of Molecular Graphics & Modelling|August 12, 2011
Pharmacophore filtering and 3D-QSAR in the discovery of new JAK2 inhibitorsKh Dhanachandra Singh, Muthusamy Karthikeyan, Palani Kirubakaran, et al.Journal of Molecular Graphics & Modelling|August 9, 2011
Molecular modeling and molecular dynamics simulation studies on pyrrolopyrimidine-based α-helix mimetic as dual inhibitors of MDM2 and MDMXShao-Yong Lu, Yong-Jun Jiang, Jian-Wei Zou, et al.Journal of Molecular Graphics & Modelling|July 30, 2011
Prediction of probable mutations in influenza virus hemagglutinin protein based on large-scale ab initio fragment molecular orbital calculationsAkio Yoshioka, Kaori Fukuzawa, Yuji Mochizuki, et al.Journal of Molecular Graphics & Modelling|July 30, 2011
QM and QM/MD simulations of the Vinca alkaloids docked to tubulinEvan B Kelly, Jack A Tuszynski, M KlobukowskiJournal of Molecular Graphics & Modelling|July 30, 2011
The design and inhibitory profile of new benzimidazole derivatives against triosephosphate isomerase from Trypanosoma cruzi: a problem of residue motilityAntonio Romo-Mancillas, Alfredo Téllez-Valencia, Lilián Yépez-Mulia, et al.Journal of Molecular Graphics & Modelling|February 11, 2012
Construction of a robust, large-scale, collaborative database for raw data in computational chemistry: the Collaborative Chemistry Database Tool (CCDBT)Mingyang Chen, Amanda C Stott, Shenggang Li, et al.Pageof 406