共 50 条
- [1] Discordant results on FeCO deformability in heme proteins reconciled by density functional theoryJ. Am. Chem. Soc., 18 (4524-4525):Department of Chemistry, Princeton University, Princeton, NJ 08544, United States
- [2] Steric contributions to CO binding in heme proteins: a density functional analysis of FeCO vibrations and deformabilityJOURNAL OF PORPHYRINS AND PHTHALOCYANINES, 2001, 5 (03) : 312 - 322Kozlowski, PMVogel, KMZgierski, MZSpiro, TG
- [3] Density functional theory and molecular dynamics results for copper proteinsJOURNAL OF INORGANIC BIOCHEMISTRY, 2001, 86 (01) : 445 - 445Swart, Mvan den Bosch, MBerendsen, HJCCanters, GWSnijders, JG
- [4] Discordant results on the FeO++H2 reaction reconciled by quantum Monte Carlo theoryMOLECULAR PHYSICS, 2004, 102 (23-24) : 2635 - 2637Matxain, JMMercero, JMIrigoras, AUgalde, JM
- [5] Deformability of Fe(II)CO and Fe(III)CN groups in heme protein models: nonlocal density functional theory calculationsJOURNAL OF BIOLOGICAL INORGANIC CHEMISTRY, 1997, 2 (04): : 526 - 530Vangberg, TBocian, DFGhosh, A
- [6] Deformability of Fe(II)CO and Fe(III)CN groups in heme protein models: nonlocal density functional theory calculationsJBIC Journal of Biological Inorganic Chemistry, 1997, 2 : 526 - 530Torgil VangbergD. F. BocianA. Ghosh
- [7] Mossbauer quadrupole splittings and electronic structure in heme proteins and model systems: A density functional theory investigationJOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2002, 124 (46) : 13921 - 13930Zhang, YMao, JHGodbout, NOldfield, E
- [8] A density functional theory investigation of Fe-N-O bonding in heme proteins and model systemsJOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2003, 125 (52) : 16387 - 16396Zhang, YGossman, WOldfield, E
- [9] Binding and Docking Interactions of NO, CO and O2 in Heme Proteins as Probed by Density Functional TheoryINTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2009, 10 (09) : 4137 - 4156Daskalakis, VangelisVarotsis, Constantinos
- [10] A Density Functional Theory Investigation of Fe-N-O Bonding in Heme Proteins and Model SystemsJournal of the American Chemical Society, 2003, 125 (52): : 16387 - 16396Zhang, YongGossman, WilliamOldfield, Eric