화학공학소재연구정보센터
검색결과 : 13건
No. Article
1 Prediction of pK(a) Values for Druglike Molecules Using Semiempirical Quantum Chemical Methods
Jensen JH, Swain CJ, Olsen L
Journal of Physical Chemistry A, 121(3), 699, 2017
2 Biological insights from 108 schizophrenia-associated genetic loci
Ripke S, Neale BM, Corvin A, Walters JTR, Farh KH, Holmans PA, Lee P, Bulik-Sullivan B, Collier DA, Huang HL, Pers TH, Agartz I, Agerbo E, Albus M, Alexander M, Amin F, Bacanu SA, Begemann M, Belliveau RA, Bene J, Bergen SE, Bevilacqua E, Bigdeli TB, Black DW, Bruggeman R, Buccola NG, Buckner RL, Byerley W, Cahn W, Cai GQ, Campion D, Cantor RM, Carr VJ, Carrera N, Catts SV, Chambert KD, Chan RCK, Chen RYL, Chen EYH, Cheng W, Cheung EFC, Chong SA, Cloninger CR, Cohen D, Cohen N, Cormican P, Craddock N, Crowley JJ, Curtis D, Davidson M, Davis KL, Degenhardt F, Del Favero J, Demontis D, Dikeos D, Dinan T, Djurovic S, Donohoe G, Drapeau E, Duan J, Dudbridge F, Durmishi N, Eichhammer P, Eriksson J, Escott-Price V, Essioux L, Fanous AH, Farrell MS, Frank J, Franke L, Freedman R, Freimer NB, Friedl M, Friedman JI, Fromer M, Genovese G, Georgieva L, Giegling I, Giusti-Rodriguez P, Godard S, Goldstein JI, Golimbet V, Gopal S, Gratten J, de Haan L, Hammer C, Hamshere ML, Hansen M, Hansen T, Haroutunian V, Hartmann AM, Henskens FA, Herms S, Hirschhorn JN, Hoffmann P, Hofman A, Hollegaard MV, Hougaard DM, Ikeda M, Joa I, Julia A, Kahn RS, Kalaydjieva L, Karachanak-Yankova S, Karjalainen J, Kavanagh D, Keller MC, Kennedy JL, Khrunin A, Kim Y, Klovins J, Knowles JA, Konte B, Kucinskas V, Kucinskiene ZA, Kuzelova-Ptackova H, Kahler AK, Laurent C, Keong JLC, Lee SH, Legge SE, Lerer B, Li MX, Li T, Liang KY, Lieberman J, Limborska S, Loughland CM, Lubinski J, Lonnqvist J, Macek M, Magnusson PKE, Maher BS, Maier W, Mallet J, Marsal S, Mattheisen M, Mattingsdal M, McCarley RW, McDonald C, McIntosh AM, Meier S, Meijer CJ, Melegh B, Melle I, Mesholam-Gately RI, Metspalu A, Michie PT, Milani L, Milanova V, Mokrab Y, Morris DW, Mors O, Murphy KC, Murray RM, Myin-Germeys I, Muller-Myhsok B, Nelis M, Nenadic I, Nertney DA, Nestadt G, Nicodemus KK, Nikitina-Zake L, Nisenbaum L, Nordin A, O'Callaghan E, O'Dushlaine C, O'Neill FA, Oh SY, Olincy A, Olsen L, Van Os J, Pantelis C, Papadimitriou GN, Papiol S, Parkhomenko E, Pato MT, Paunio T, Pejovic-Milovancevic M, Perkins DO, Pietilainen O, Pimm J, Pocklington AJ, Powell J, Price A, Pulver AE, Purcell SM, Quested D, Rasmussen HB, Reichenberg A, Reimers MA, Richards AL, Roffman JL, Roussos P, Ruderfer DM, Salomaa V, Sanders AR, Schall U, Schubert CR, Schulze TG, Schwab SG, Scolnick EM, Scott RJ, Seidman LJ, Shi JX, Sigurdsson E, Silagadze T, Silverman JM, Sim K, Slominsky P, Smoller JW, So HC, Spencer CCA, Stahl EA, Stefansson H, Steinberg S, Stogmann E, Straub RE, Strengman E, Strohmaier J, Stroup TS, Subramaniam M, Suvisaari J, Svrakic DM, Szatkiewicz JP, Soderman E, Thirumalai S, Toncheva D, Tosato S, Veijola J, Waddington J, Walsh D, Wang D, Wang Q, Webb BT, Weiser M, Wildenauer DB, Williams NM, Williams S, Witt SH, Wolen AR, Wong EHM, Wormley BK, Xi HS, Zai CC, Zheng XB, Zimprich F, Wray NR, Stefansson K, Visscher PM, Adolfsson R, Andreassen OA, Blackwood DHR, Bramon E, Buxbaum JD, Borglum AD, Cichon S, Darvasi A, Domenici E, Ehrenreich H, Esko T, Gejman PV, Gill M, Gurling H, Hultman CM, Iwata N, Jablensky AV, Jonsson EG, Kendler KS, Kirov G, Knight J, Lencz T, Levinson DF, Li QQS, Liu JJ, Malhotra AK, McCarroll SA, McQuillin A, Moran JL, Mortensen PB, Mowry BJ, Nothen MM, Ophoff RA, Owen MJ, Palotie A, Pato CN, Petryshen TL, Posthuma D, Rietschel M, Riley BP, Rujescu D, Sham PC, Sklar P, St Clair D, Weinberger DR, Wendland JR, Werge T, Daly MJ, Sullivan PF, O'Donovan MC
Nature, 511(7510), 421, 2014
3 The Accuracy of Geometries for Iron Porphyrin Complexes from Density Functional Theory
Rydberg P, Olsen L
Journal of Physical Chemistry A, 113(43), 11949, 2009
4 Prediction of Activation Energies for Aromatic Oxidation by Cytochrome P450
Rydberg P, Ryde U, Olsen L
Journal of Physical Chemistry A, 112(50), 13058, 2008
5 Thioflavin T Hydroxylation at Basic pH and Its Effect on Amyloid Fibril Detection
Fodera V, Groenning M, Vetri V, Librizzi F, Spagnolo S, Cornett C, Olsen L, van de Weert M, Leone M
Journal of Physical Chemistry B, 112(47), 15174, 2008
6 Dynamics of water molecules in the active-site cavity of human cytochromes P450
Rydberg P, Rod TH, Olsen L, Ryde U
Journal of Physical Chemistry B, 111(19), 5445, 2007
7 Study on the binding of Thioflavin T to beta-sheet-rich and non-beta-sheet cavities
Groenning M, Olsen L, van de Weert M, Flink JM, Frokjaer S, Jorgensen FS
Journal of Structural Biology, 158(3), 358, 2007
8 Binding of benzylpenicillin to metallo-beta-lactamase: A QM/MM study
Olsen L, Rasmussen T, Hemmingsen L, Ryde U
Journal of Physical Chemistry B, 108(45), 17639, 2004
9 Lactam hydrolysis catalyzed by mononuclear metallo-beta-lactamases: A density functional study
Olsen L, Antony J, Ryde U, Adolph HW, Hemmingsen L
Journal of Physical Chemistry B, 107(10), 2366, 2003
10 Electric field gradients of water: A systematic investigation of basis set, electron correlation, and rovibrational effects
Olsen L, Christiansen O, Hemmingsen L, Sauer SPA, Mikkelsen KV
Journal of Chemical Physics, 116(4), 1424, 2002