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Journal of Molecular Modeling|September 27, 2017
d(A)3d(T)3 and d(G)3d(C)3 B-DNA mini-helixes: the DFT/M06-2x and DFT/B97-D3 comparison of geometrical and energetic characteristicsLeonid Gorb, Tatiana A Zubatiuk, Roman Zubatyuk, et al.Journal of Molecular Modeling|September 28, 2017
Bond length pattern associated with charge carriers in armchair graphene nanoribbonsJonathan Fernando Teixeira, Pedro Henrique de Oliveira Neto, Wiliam Ferreira da Cunha, et al.Journal of Molecular Modeling|September 2, 2017
Docking-assisted 3D-QSAR studies on xanthones as α-glucosidase inhibitorsXuehua Zheng, Siyuan Zhou, Chen Zhang, et al.Journal of Molecular Modeling|August 3, 2017
Oleanolic acid and ursolic acid as potential inhibitors of human salivary α-amylase: insights from in vitro assays and in silico simulationsJiachen Sun, Shengjie Dong, Yueting Wu, et al.Journal of Molecular Modeling|July 10, 2016
Investigating the substrate binding mechanism of sulfotransferase 2A1 based on substrate tunnel analysis: a molecular dynamics simulation studyLi Zhao, Pupu Zhang, Shiyang Long, et al.Journal of Molecular Modeling|July 20, 2017
Controlling activation barrier by carbon nanotubes as nano-chemical reactorsAlia Méjri, Fabien Picaud, Mohammed El Khalifi, et al.Journal of Molecular Modeling|July 21, 2017
Inhibition mechanism of CDK-2 and GSK-3β by a sulfamoylphenyl derivative of indoline-a molecular dynamics studyPrzemysław CzeleńJournal of Molecular Modeling|September 12, 2017
Structural, mechanical properties, and vibrational spectra of LLM-105 under high pressures from a first-principles studyHe-Hou Zong, Lei Zhang, Wei-Bin Zhang, et al.Journal of Molecular Modeling|September 4, 2017
Tetrahydroisoquinolines functionalized with carbamates as selective ligands of D2 dopamine receptorOscar Parravicini, M Lucrecia Bogado, Sebastián Rojas, et al.Journal of Molecular Modeling|March 30, 2016
KRAKENX: software for the generation of alignment-independent 3D descriptorsVishwesh Venkatraman, Bjørn Kåre AlsbergPageof 697