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Journal of Computational Chemistry|October 14, 2010
The opsin shift and mechanism of spectral tuning in rhodopsinRamkumar Rajamani, Yen-Lin Lin, Jiali GaoJournal of Computational Chemistry|October 20, 2010
Efficient quantification of the importance of contacts for the dynamical stability of proteinsKay HamacherJournal of Computational Chemistry|February 18, 2011
A self-consistent Hirshfeld method for the atom in the molecule based on minimization of information lossDieter Ghillemijn, Patrick Bultinck, Dimitri Van Neck, et al.Journal of Computational Chemistry|February 18, 2011
Predicting protein folding rates using the concept of Chou's pseudo amino acid compositionJianxiu Guo, Nini Rao, Guangxiong Liu, et al.Journal of Computational Chemistry|February 18, 2011
Specific interactions between lactose repressor protein and DNA affected by ligand binding: ab initio molecular orbital calculationsTatsuya Ohyama, Masato Hayakawa, Shin Nishikawa, et al.Journal of Computational Chemistry|May 5, 2011
Computational study of energetic nitrogen-rich derivatives of 1,1'- and 5,5'-bridged ditetrazolesWeihua Zhu, Chenchen Zhang, Tao Wei, et al.Journal of Computational Chemistry|May 5, 2011
Fast docking using the CHARMM force field with EADock DSSAurélien Grosdidier, Vincent Zoete, Olivier MichielinJournal of Computational Chemistry|May 5, 2011
PyADF--a scripting framework for multiscale quantum chemistryChristoph R Jacob, S Maya Beyhan, Rosa E Bulo, et al.Journal of Computational Chemistry|May 6, 2011
Molecular dynamics simulations of ionic and nonionic surfactant micelles with a generalized Born implicit-solvent modelYuhang Wang, Jason A Wallace, Peter H Koenig, et al.Journal of Computational Chemistry|April 2, 2011
Accurate bond dissociation enthalpies by using doubly hybrid XYG3 functionalIgor Ying Zhang, Jianming Wu, Yi Luo, et al.Pageof 593