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Journal of Molecular Modeling|August 19, 2011
In silico quest for putative drug targets in Helicobacter pylori HPAG1: molecular modeling of candidate enzymes from lipopolysaccharide biosynthesis pathwayMunmun Sarkar, Lakshmi Maganti, Nanda Ghoshal, et al.Journal of Molecular Modeling|October 13, 2011
Are formal oxidation states above one viable in cyclopentadienylcopper cyanides?Congzhi Wang, Xiuhui Zhang, Qian-shu Li, et al.Journal of Molecular Modeling|October 13, 2011
Theoretical investigation of the two-photon absorption properties of 3,6-bis(4-vinylpyridinium) carbazole derivatives--new biological fluorescent probesYing Sun, Yang Zhao, Xiao-Ting Liu, et al.Journal of Molecular Modeling|August 4, 2011
Structural and electronic properties of Z isomers of (4α→6´´,2α→O→1´´)-phenylflavans substituted with R = H, OH and OCH₃ calculated in aqueous solution with PCM solvation modelRosana Maria Lobayan, Erika N Bentz, Alicia H Jubert, et al.Journal of Molecular Modeling|November 10, 2011
Comparative homology modeling of pyruvate dehydrogenase kinase isozymes from Xenopus tropicalis reveals structural basis for their subfunctionalizationAlexander A TokmakovJournal of Molecular Modeling|November 11, 2011
Conformational and stereoelectronic investigation of tryptamine. An AIM/NBO studyRosana M Lobayan, María C Pérez Schmit, Alicia H Jubert, et al.Journal of Molecular Modeling|August 27, 2011
Computational studies on full-length Ku70 with DNA duplexes: base interactions and a helical pathShaowen Hu, Francis A CucinottaJournal of Molecular Modeling|August 31, 2011
Transient pockets on XIAP-BIR2: toward the characterization of putative binding sites of small-molecule XIAP inhibitorsSusanne Eyrisch, Jose L Medina-Franco, Volkhard HelmsJournal of Molecular Modeling|August 31, 2011
In silico analysis of Pycnoporus cinnabarinus laccase active site with toxic industrial dyesNirmal K Prasad, Vaibhav Vindal, Siva Lakshmi Narayana, et al.Journal of Molecular Modeling|August 31, 2011
Studies on molecular structure and tautomerism of a vitamin B6 analog with density functional theorySuban K Sahoo, Darshna Sharma, Rati Kanta BeraPageof 694