These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.
114 related articles for article (PubMed ID: 27490188)
41. The catalytic mechanism of glyceraldehyde 3-phosphate dehydrogenase from Trypanosoma cruzi elucidated via the QM/MM approach. Reis M; Alves CN; Lameira J; Tuñón I; Martí S; Moliner V Phys Chem Chem Phys; 2013 Mar; 15(11):3772-85. PubMed ID: 23389436 [TBL] [Abstract][Full Text] [Related]
42. Association and redox properties of the putidaredoxin reductase-nicotinamide adenine dinucleotide complex. Reipa V; Holden MJ; Vilker VL Biochemistry; 2007 Nov; 46(45):13235-44. PubMed ID: 17941648 [TBL] [Abstract][Full Text] [Related]
43. Unusual conformation of nicotinamide adenine dinucleotide (NAD) bound to diphtheria toxin: a comparison with NAD bound to the oxidoreductase enzymes. Bell CE; Yeates TO; Eisenberg D Protein Sci; 1997 Oct; 6(10):2084-96. PubMed ID: 9336832 [TBL] [Abstract][Full Text] [Related]
44. Molecular dynamics simulation studies of the wild-type, I21V, and I16T mutants of isoniazid-resistant Mycobacterium tuberculosis enoyl reductase (InhA) in complex with NADH: toward the understanding of NADH-InhA different affinities. Schroeder EK; Basso LA; Santos DS; de Souza ON Biophys J; 2005 Aug; 89(2):876-84. PubMed ID: 15908576 [TBL] [Abstract][Full Text] [Related]
45. QM/MM simulation of liquid water with an adaptive quantum region. Bernstein N; Várnai C; Solt I; Winfield SA; Payne MC; Simon I; Fuxreiter M; Csányi G Phys Chem Chem Phys; 2012 Jan; 14(2):646-56. PubMed ID: 22089416 [TBL] [Abstract][Full Text] [Related]
46. Coupling density functional theory to polarizable force fields for efficient and accurate Hamiltonian molecular dynamics simulations. Schwörer M; Breitenfeld B; Tröster P; Bauer S; Lorenzen K; Tavan P; Mathias G J Chem Phys; 2013 Jun; 138(24):244103. PubMed ID: 23822223 [TBL] [Abstract][Full Text] [Related]
47. Dynamic QM/MM: a hybrid approach to simulating gas-liquid interactions. Yockel S; Schatz GC Top Curr Chem; 2012; 307():43-67. PubMed ID: 21506003 [TBL] [Abstract][Full Text] [Related]
48. Application of Adaptive QM/MM Methods to Molecular Dynamics Simulations of Aqueous Systems. Park K; Götz AW; Walker RC; Paesani F J Chem Theory Comput; 2012 Aug; 8(8):2868-77. PubMed ID: 26592126 [TBL] [Abstract][Full Text] [Related]
49. Accurate standard hydrogen electrode potential and applications to the redox potentials of vitamin C and NAD/NADH. Matsui T; Kitagawa Y; Okumura M; Shigeta Y J Phys Chem A; 2015 Jan; 119(2):369-76. PubMed ID: 25514626 [TBL] [Abstract][Full Text] [Related]
50. pKa calculations in solution and proteins with QM/MM free energy perturbation simulations: a quantitative test of QM/MM protocols. Riccardi D; Schaefer P; Cui Q J Phys Chem B; 2005 Sep; 109(37):17715-33. PubMed ID: 16853267 [TBL] [Abstract][Full Text] [Related]
51. Fragment quantum mechanical calculation of proteins and its applications. He X; Zhu T; Wang X; Liu J; Zhang JZ Acc Chem Res; 2014 Sep; 47(9):2748-57. PubMed ID: 24851673 [TBL] [Abstract][Full Text] [Related]
52. Quantum chemical study of carbohydrate-phospholipid interactions. Parthasarathi R; Tian J; Redondo A; Gnanakaran S J Phys Chem A; 2011 Nov; 115(45):12826-40. PubMed ID: 21958451 [TBL] [Abstract][Full Text] [Related]
53. Gold nanoparticles: catalyst for the oxidation of NADH to NAD(+). Huang X; El-Sayed IH; Yi X; El-Sayed MA J Photochem Photobiol B; 2005 Nov; 81(2):76-83. PubMed ID: 16125965 [TBL] [Abstract][Full Text] [Related]
54. Infrared spectroscopy of nicotinamide adenine dinucleotides in one and two dimensions. Simpson N; Shaw DJ; Frederix PW; Gillies AH; Adamczyk K; Greetham GM; Towrie M; Parker AW; Hoskisson PA; Hunt NT J Phys Chem B; 2013 Dec; 117(51):16468-78. PubMed ID: 24313706 [TBL] [Abstract][Full Text] [Related]
55. Chemical and stereochemical actions of UDP-galactose 4-epimerase. Frey PA; Hegeman AD Acc Chem Res; 2013 Jul; 46(7):1417-26. PubMed ID: 23339688 [TBL] [Abstract][Full Text] [Related]
56. Quantum mechanics/molecular mechanics minimum free-energy path for accurate reaction energetics in solution and enzymes: sequential sampling and optimization on the potential of mean force surface. Hu H; Lu Z; Parks JM; Burger SK; Yang W J Chem Phys; 2008 Jan; 128(3):034105. PubMed ID: 18205486 [TBL] [Abstract][Full Text] [Related]
57. The QM-MM interface for CHARMM-deMon. Lev B; Zhang R; de la Lande A; Salahub D; Noskov SY J Comput Chem; 2010 Apr; 31(5):1015-23. PubMed ID: 20027641 [TBL] [Abstract][Full Text] [Related]
58. Molecular dynamics simulations of the coenzyme induced conformational changes of Mycobacterium tuberculosis L-alanine dehydrogenase. Ling B; Sun M; Bi S; Jing Z; Liu Y J Mol Graph Model; 2012 May; 35():1-10. PubMed ID: 22459692 [TBL] [Abstract][Full Text] [Related]
59. QM/MM-MD simulations of conjugated polyelectrolytes: a study of luminescent conjugated oligothiophenes for use as biophysical probes. Sjöqvist J; Linares M; Mikkelsen KV; Norman P J Phys Chem A; 2014 May; 118(19):3419-28. PubMed ID: 24738472 [TBL] [Abstract][Full Text] [Related]
60. Conformational Landscape of NADH and Ion Binding in Water/DMSO Mixtures via Lu J; Teleanu F; Zou H; Zhang C; Hollingsworth A; Jerschow A J Phys Chem B; 2024 Sep; 128(35):8504-8511. PubMed ID: 39018118 [TBL] [Abstract][Full Text] [Related] [Previous] [Next] [New Search]