共 50 条
- [31] A combined quantum mechanical and molecular mechanical study of the reaction mechanism and α-amino acidity in alanine racemaseJOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2006, 128 (50) : 16345 - 16357Major, Dan ThomasGao, Jiali
- [33] Quantum mechanical methods for large biomolecular systems: Applications in the study of the cytidine deaminase enzymeBIOPHYSICAL JOURNAL, 1998, 74 (02) : A132 - A132Lewis, JPCarter, CWHermans, JPan, WLee, TSYang, WT
- [34] A quantum mechanical polarizable force field for biomolecular interactionsPROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2005, 102 (22) : 7829 - 7834Donchev, AGOzrin, VDSubbotin, MVTarasov, OVTarasov, VI
- [35] Accelerated constant-voltage quantum mechanical/molecular mechanical method for molecular systems at electrochemical interfacesJOURNAL OF CHEMICAL PHYSICS, 2022, 157 (23):Takahashi, KenNakano, HiroshiSato, Hirofumi
- [36] Quantum mechanical/molecular mechanical (QM/MM) docking:: an evaluation for known test systemsMOLECULAR PHYSICS, 2003, 101 (15) : 2469 - 2480Beierlein, FLanig, HSchürer, GHorn, AHCClark, T
- [37] Combined Hartree-Fock quantum mechanical and molecular mechanical molecular dynamics simulations of water at ambient and supercritical conditionsJOURNAL OF CHEMICAL PHYSICS, 2000, 113 (24): : 11264 - 11269Tu, YQLaaksonen, A
- [38] Combined Hartree-Fock quantum mechanical and molecular mechanical molecular dynamics simulations of water at ambient and supercritical conditions Tu, Yaoquan, 2000, American Inst of Physics, Woodbury, NY, United States (113):
- [39] New implementation of a combined quantum mechanical and molecular mechanical method using modified generalized hybrid orbitalsJOURNAL OF CHEMICAL PHYSICS, 2007, 127 (20):Jung, JaewoonChoi, Cheol HoSugita, YujiTen-no, Seiichiro
- [40] Influence of structural fluctuation on enzyme reaction energy barriers in combined quantum mechanical/molecular mechanical studiesJOURNAL OF PHYSICAL CHEMISTRY B, 2003, 107 (18): : 4459 - 4463Zhang, YKKua, JMcCammon, JA