Showing results (4951-4960 of 5,978) with videos related to
Sort By:
Pageof 598
Journal of Computational Chemistry|October 20, 2012
On the choice of a reference state for one-step perturbation calculations between polar and nonpolar molecules in a polar environmentZhixiong Lin, Wilfred F van GunsterenJournal of Computational Chemistry|August 1, 2012
Computational prediction of monosaccharide binding free energies to lectins with linear interaction energy modelsSushil Kumar Mishra, Johan Sund, Johan Åqvist, et al.Journal of Computational Chemistry|August 24, 2012
Effect of atomic charge, solvation, entropy, and ligand protonation state on MM-PB(GB)SA binding energies of HIV proteaseDaniel P Oehme, Robert T C Brownlee, David J D WilsonJournal of Computational Chemistry|August 29, 2012
Extending Hirshfeld-I to bulk and periodic materialsDanny E P Vanpoucke, Patrick Bultinck, Isabel Van DriesscheJournal of Computational Chemistry|August 30, 2012
Continuous symmetry analyses: C(nv) and D(n) measures of molecules, complexes, and proteinsMark Pinsky, Amir Zait, Maayan Bonjack, et al.Journal of Computational Chemistry|March 23, 2010
Half metallic properties of LaSrVMoO6Weiyu Song, Jing Wang, Jian Meng, et al.Journal of Computational Chemistry|March 26, 2010
Redox-induced configuration conversion for thioacetamide dimer can function as a molecular switchHaiying Liu, Xiaohua Chen, Yuxiang BuJournal of Computational Chemistry|March 26, 2010
g_membed: Efficient insertion of a membrane protein into an equilibrated lipid bilayer with minimal perturbationMaarten G Wolf, Martin Hoefling, Camilo Aponte-Santamaría, et al.Journal of Computational Chemistry|June 15, 2012
Structure and stability of coinage metal fluoride and chloride clusters (MnFn and MnCln, M = Cu, Ag, or Au; n = 1-6)F RabilloudJournal of Computational Chemistry|March 20, 2010
Novel graph distance matrixMilan Randić, Tomaz Pisanski, Marjana Novic, et al.Pageof 598