SCOPUS 정보 검색 플랫폼

Volumn 18, Issue 1, 2012, Pages 213-222

Molecular recognition at the active site of factor Xa: Cation-π Interactions, stacking on planar peptide surfaces, and replacement of structural water

(10) Salonen, Laura M a Holland, Mareike C a Kaib, Philip S J a Haap, Wolfgang b Benz, Jörg b Mary, Jean Luc b Kuster, Olivier b Schweizer, W Bernd a Banner, David W b Diederich, François a

a ETH ZURICH (Switzerland)

b F HOFFMANN LA ROCHE LTD (Switzerland)

Author keywords

cation interactions; enzyme inhibitors; factor Xa; ligand conformations; molecular recognition

Indexed keywords

ACTIVE SITE; AROMATIC BOX; ATOMIC-LEVEL RESOLUTION; BINDING AFFINITIES; BINDING GEOMETRIES; BLOOD COAGULATION; COCRYSTAL STRUCTURE; ENZYME INHIBITORS; FACTOR XA; FREE ENTHALPY; HETEROATOMS; HIGH AFFINITY LIGANDS; INHIBITORY CONSTANTS; LIGAND CONFORMATIONS; PEPTIDE FRAGMENTS; PROTEIN-LIGAND COMPLEXES; QUATERNARY AMMONIUM; SERINE PROTEASE; SMALL-MOLECULE INHIBITORS; STACKING INTERACTION; STRUCTURAL WATER; STRUCTURE ACTIVITY RELATIONSHIPS;

AMINO ACIDS; AMMONIUM COMPOUNDS; ATOMS; BINDING ENERGY; COAGULATION; COMPLEXATION; CRYSTAL ATOMIC STRUCTURE; ENZYMES; FEATURE EXTRACTION; MOLECULAR RECOGNITION; ORGANIC COMPOUNDS; PEPTIDES; POSITIVE IONS;

LIGANDS;

BLOOD CLOTTING FACTOR 10A; ENZYME INHIBITOR; ISOXAZOLE DERIVATIVE; PEPTIDE; SERINE PROTEINASE; THIOPHENE DERIVATIVE; TYROSINE; WATER;

ARTICLE; BINDING SITE; CHEMISTRY; CONFORMATION; DRUG ANTAGONISM; GENETICS; HUMAN; METABOLISM; STEREOISOMERISM; SYNTHESIS; THERMODYNAMICS; X RAY CRYSTALLOGRAPHY;

BINDING SITES; CRYSTALLOGRAPHY, X-RAY; ENZYME INHIBITORS; FACTOR XA; HUMANS; ISOXAZOLES; MOLECULAR CONFORMATION; PEPTIDES; SERINE ENDOPEPTIDASES; STEREOISOMERISM; THERMODYNAMICS; THIOPHENES; TYROSINE; WATER;

EID: 84555191616 PISSN: 09476539 EISSN: 15213765 Source Type: Journal
DOI: 10.1002/chem.201102571 Document Type: Article

Times cited : (51)

References (75)

1
- 0027304964
- K. Padmanabhan, K. P. Padmanabhan, A. Tulinsky, C. H. Park, W. Bode, R. Huber, D. T. Blankenship, A. D. Cardin, W. Kisiel, J. Mol. Biol. 1993, 232, 947-966.
- (1993) J. Mol. Biol. , vol.232 , pp. 947-966
- Padmanabhan, K.¹ Padmanabhan, K.P.² Tulinsky, A.³ Park, C.H.⁴ Bode, W.⁵ Huber, R.⁶ Blankenship, D.T.⁷ Cardin, A.D.⁸ Kisiel, W.⁹

2
- 33846447291
- K. Schärer, M. Morgenthaler, R. Paulini, U. Obst-Sander, D. W. Banner, D. Schlatter, J. Benz, M. Stihle, F. Diederich, Angew. Chem. 2005, 117, 4474-4479
- (2005) Angew. Chem. , vol.117 , pp. 4474-4479
- Schärer, K.¹ Morgenthaler, M.² Paulini, R.³ Obst-Sander, U.⁴ Banner, D.W.⁵ Schlatter, D.⁶ Benz, J.⁷ Stihle, M.⁸ Diederich, F.⁹

3
- 22744448212
- Angew. Chem. Int. Ed. 2005, 44, 4400-4404
- (2005) Angew. Chem. Int. Ed. , vol.44 , pp. 4400-4404

4
- 79955667621
- L. M. Salonen, C. Bucher, D. W. Banner, W. Haap, J.-L. Mary, J. Benz, O. Kuster, P. Seiler, W. B. Schweizer, F. Diederich, Angew. Chem. 2009, 121, 825-828
- (2009) Angew. Chem. , vol.121 , pp. 825-828
- Salonen, L.M.¹ Bucher, C.² Banner, D.W.³ Haap, W.⁴ Mary, J.-L.⁵ Benz, J.⁶ Kuster, O.⁷ Seiler, P.⁸ Schweizer, W.B.⁹ Diederich, F.¹⁰

5
- 58249100150
- Angew. Chem. Int. Ed. 2009, 48, 811-814.
- (2009) Angew. Chem. Int. Ed. , vol.48 , pp. 811-814

6
- 22244460783
- M. Nazaré, D. W. Will, H. Matter, H. Schreuder, K. Ritter, M. Urmann, M. Essrich, A. Bauer, M. Wagner, J. Czech, M. Lorenz, V. Laux, V. Wehner, J. Med. Chem. 2005, 48, 4511-4525
- (2005) J. Med. Chem. , vol.48 , pp. 4511-4525
- Nazaré, M.¹ Will, D.W.² Matter, H.³ Schreuder, H.⁴ Ritter, K.⁵ Urmann, M.⁶ Essrich, M.⁷ Bauer, A.⁸ Wagner, M.⁹ Czech, J.¹⁰ Lorenz, M.¹¹ Laux, V.¹² Wehner, V.¹³

7
- 24944536065
- S. Roehrig, A. Straub, J. Pohlmann, T. Lampe, J. Pernerstorfer, K.-H. Schlemmer, P. Reinemer, E. Perzborn, J. Med. Chem. 2005, 48, 5900-5908
- (2005) J. Med. Chem. , vol.48 , pp. 5900-5908
- Roehrig, S.¹ Straub, A.² Pohlmann, J.³ Lampe, T.⁴ Pernerstorfer, J.⁵ Schlemmer, K.-H.⁶ Reinemer, P.⁷ Perzborn, E.⁸

8
- 32844468175
- M. Ieko, T. Tarumi, T. Nakabayashi, M. Yoshida, S. Naito, T. Koike, Front. Biosci. 2006, 11, 232-248
- (2006) Front. Biosci. , vol.11 , pp. 232-248
- Ieko, M.¹ Tarumi, T.² Nakabayashi, T.³ Yoshida, M.⁴ Naito, S.⁵ Koike, T.⁶

9
- 77955663098
- L. Anselm, D. W. Banner, J. Benz, K. Groebke Zbinden, J. Himber, H. Hilpert, W. Huber, B. Kuhn, J.-L. Mary, M. B. Otteneder, N. Panday, F. Ricklin, M. Stahl, S. Thomi, W. Haap, Bioorg. Med. Chem. Lett. 2010, 20, 5313-5319
- (2010) Bioorg. Med. Chem. Lett. , vol.20 , pp. 5313-5319
- Anselm, L.¹ Banner, D.W.² Benz, J.³ Zbinden, K.G.⁴ Himber, J.⁵ Hilpert, H.⁶ Huber, W.⁷ Kuhn, B.⁸ Mary, J.-L.⁹ Otteneder, M.B.¹⁰ Panday, N.¹¹ Ricklin, F.¹² Stahl, M.¹³ Thomi, S.¹⁴ Haap, W.¹⁵

10
- 77956318578
- D. J. P. Pinto, J. M. Smallheer, D. L. Cheney, R. M. Knabb, R. R. Wexler, J. Med. Chem. 2010, 53, 6243-6274
- (2010) J. Med. Chem. , vol.53 , pp. 6243-6274
- Pinto, D.J.P.¹ Smallheer, J.M.² Cheney, D.L.³ Knabb, R.M.⁴ Wexler, R.R.⁵

11
- 79551573812
- Y.-K. Lee, M. R. Player, Med. Res. Rev. 2011, 31, 202-283
- (2011) Med. Res. Rev. , vol.31 , pp. 202-283
- Lee, Y.-K.¹ Player, M.R.²

12
- 78650827771
- E. Perzborn, S. Roehrig, A. Straub, D. Kubitza, F. Misselwitz, Nat. Rev. Drug Discovery 2011, 10, 61-75
- (2011) Nat. Rev. Drug Discovery , vol.10 , pp. 61-75
- Perzborn, E.¹ Roehrig, S.² Straub, A.³ Kubitza, D.⁴ Misselwitz, F.⁵

13
- 84555211789
- A. Straub, S. Roehrig, A. Hillisch, Angew. Chem. 2011, 123, 4670-4686
- (2011) Angew. Chem. , vol.123 , pp. 4670-4686
- Straub, A.¹ Roehrig, S.² Hillisch, A.³

14
- 79955665055
- Angew. Chem. Int. Ed. 2011, 50, 4574-4590.
- (2011) Angew. Chem. Int. Ed. , vol.50 , pp. 4574-4590

15
- 4243468938
- J. C. Ma, D. A. Dougherty, Chem. Rev. 1997, 97, 1303-1324
- (1997) Chem. Rev. , vol.97 , pp. 1303-1324
- Ma, J.C.¹ Dougherty, D.A.²

16
- 2542432136
- H. A. Lester, M. I. Dibas, D. S. Dahan, J. F. Leite, D. A. Dougherty, Trends Neurosci. 2004, 27, 329-336
- (2004) Trends Neurosci. , vol.27 , pp. 329-336
- Lester, H.A.¹ Dibas, M.I.² Dahan, D.S.³ Leite, J.F.⁴ Dougherty, D.A.⁵

17
- 33846352016
- E. T. Kool, M. L. Waters, Nat. Chem. Biol. 2007, 3, 70-73
- (2007) Nat. Chem. Biol. , vol.3 , pp. 70-73
- Kool, E.T.¹ Waters, M.L.²

18
- 0037955629
- E. A. Meyer, R. K. Castellano, F. Diederich, Angew. Chem. 2003, 115, 1244-1287
- (2003) Angew. Chem. , vol.115 , pp. 1244-1287
- Meyer, E.A.¹ Castellano, R.K.² Diederich, F.³

19
- 0242417008
- Angew. Chem. Int. Ed. 2003, 42, 1210-1250
- (2003) Angew. Chem. Int. Ed. , vol.42 , pp. 1210-1250

20
- 80051772242
- L. M. Salonen, M. Ellermann, F. Diederich, Angew. Chem. 2011, 123, 4908-4944
- (2011) Angew. Chem. , vol.123 , pp. 4908-4944
- Salonen, L.M.¹ Ellermann, M.² Diederich, F.³

21
- 79955766939
- Angew. Chem. Int. Ed. 2011, 50, 4808-4842.
- (2011) Angew. Chem. Int. Ed. , vol.50 , pp. 4808-4842

22
- 0029315603
- P. R. Gerber, K. Müller, J. Comput.-Aided Mol. Des. 1995, 9, 251-268
- (1995) J. Comput.-Aided Mol. Des. , vol.9 , pp. 251-268
- Gerber, P.R.¹ Müller, K.²

23
- 84873074913
- Gerber Molecular Design, http://www.moloc.ch.
- Gerber Molecular Design

24
- 0034084514
- U. Obst, P. Betschmann, C. Lerner, P. Seiler, F. Diederich, V. Gramlich, L. Weber, D. W. Banner, P. Schönholzer, Helv. Chim. Acta 2000, 83, 855-909
- (2000) Helv. Chim. Acta , vol.83 , pp. 855-909
- Obst, U.¹ Betschmann, P.² Lerner, C.³ Seiler, P.⁴ Diederich, F.⁵ Gramlich, V.⁶ Weber, L.⁷ Banner, D.W.⁸ Schönholzer, P.⁹

25
- 33746306229
- E. Schweizer, A. Hoffmann-Röder, K. Schärer, J. A. Olsen, C. Fäh, P. Seiler, U. Obst-Sander, B. Wagner, M. Kansy, F. Diederich, ChemMedChem 2006, 1, 611-621.
- (2006) ChemMedChem , vol.1 , pp. 611-621
- Schweizer, E.¹ Hoffmann-Röder, A.² Schärer, K.³ Olsen, J.A.⁴ Fäh, C.⁵ Seiler, P.⁶ Obst-Sander, U.⁷ Wagner, B.⁸ Kansy, M.⁹ Diederich, F.¹⁰

26
- 84873066555
- L. Anselm, K. Groebke Zbinden, W. Haap, J. Himber, C. M. Stahl, S. Thomi, US 2005/0215599, 2005
- L. Anselm, K. Groebke Zbinden, W. Haap, J. Himber, C. M. Stahl, S. Thomi, US 2005/0215599, 2005.

27
- 0028143534
- K. Hilpert, J. Ackermann, D. W. Banner, A. Gast, K. Gubernator, P. Hadváry, L. Labler, K. Müller, G. Schmid, T. B. Tschopp, H. van de Waterbeemd, J. Med. Chem. 1994, 37, 3889-3901.
- (1994) J. Med. Chem. , vol.37 , pp. 3889-3901
- Hilpert, K.¹ Ackermann, J.² Banner, D.W.³ Gast, A.⁴ Gubernator, K.⁵ Hadváry, P.⁶ Labler, L.⁷ Müller, K.⁸ Schmid, G.⁹ Tschopp, T.B.¹⁰ Waterbeemd, H.V.D.¹¹

28
- 0042510216
- A. Shivanyuk, J. C. Friese, S. Döring, J. Rebek, Jr., J. Org. Chem. 2003, 68, 6489-6496
- (2003) J. Org. Chem. , vol.68 , pp. 6489-6496
- Shivanyuk, A.¹ Friese, J.C.² Döring, S.³ Rebek Jr., J.⁴

29
- 65249120215
- N. K. Beyeh, A. Valkonen, K. Rissanen, Supramol. Chem. 2009, 21, 142-148.
- (2009) Supramol. Chem. , vol.21 , pp. 142-148
- Beyeh, N.K.¹ Valkonen, A.² Rissanen, K.³

30
- 0033596311
- S. Bartoli, S. Roelens, J. Am. Chem. Soc. 1999, 121, 11908-11909
- (1999) J. Am. Chem. Soc. , vol.121 , pp. 11908-11909
- Bartoli, S.¹ Roelens, S.²

31
- 0037125507
- S. Bartoli, S. Roelens, J. Am. Chem. Soc. 2002, 124, 8307-8315
- (2002) J. Am. Chem. Soc. , vol.124 , pp. 8307-8315
- Bartoli, S.¹ Roelens, S.²

32
- 0037117634
- C. A. Hunter, C. M. R. Low, C. Rotger, J. G. Vinter, C. Zonta, Proc. Natl. Acad. Sci. USA 2002, 99, 4873-4876
- (2002) Proc. Natl. Acad. Sci. USA , vol.99 , pp. 4873-4876
- Hunter, C.A.¹ Low, C.M.R.² Rotger, C.³ Vinter, J.G.⁴ Zonta, C.⁵

33
- 0037425308
- C. A. Hunter, C. M. R. Low, C. Rotger, J. G. Vinter, C. Zonta, Chem. Commun. 2003, 834-835
- (2003) Chem. Commun. , pp. 834-835
- Hunter, C.A.¹ Low, C.M.R.² Rotger, C.³ Vinter, J.G.⁴ Zonta, C.⁵

34
- 2442671609
- P. Sarri, F. Venturi, F. Cuda, S. Roelens, J. Org. Chem. 2004, 69, 3654-3661.
- (2004) J. Org. Chem. , vol.69 , pp. 3654-3661
- Sarri, P.¹ Venturi, F.² Cuda, F.³ Roelens, S.⁴

35
- 0037436339
- M. Hendlich, A. Bergner, J. Günther, G. Klebe, J. Mol. Biol. 2003, 326, 607-620
- (2003) J. Mol. Biol. , vol.326 , pp. 607-620
- Hendlich, M.¹ Bergner, A.² Günther, J.³ Klebe, G.⁴

36
- 0037436333
- J. Günther, A. Bergner, M. Hendlich, G. Klebe, J. Mol. Biol. 2003, 326, 621-636.
- (2003) J. Mol. Biol. , vol.326 , pp. 621-636
- Günther, J.¹ Bergner, A.² Hendlich, M.³ Klebe, G.⁴

37
- 77954058952
- H. Matter, M. Nazaré, S. Güssregen, D. W. Will, H. Schreuder, A. Bauer, M. Urmann, K. Ritter, M. Wagner, V. Wehner, Angew. Chem. 2009, 121, 2955-2960
- (2009) Angew. Chem. , vol.121 , pp. 2955-2960
- Matter, H.¹ Nazaré, M.² Güssregen, S.³ Will, D.W.⁴ Schreuder, H.⁵ Bauer, A.⁶ Urmann, M.⁷ Ritter, K.⁸ Wagner, M.⁹ Wehner, V.¹⁰

38
- 70349786321
- Angew. Chem. Int. Ed. 2009, 48, 2911-2916.
- (2009) Angew. Chem. Int. Ed. , vol.48 , pp. 2911-2916

39
- 21244441383
- R. Paulini, K. Müller, F. Diederich, Angew. Chem. 2005, 117, 1820-1839
- (2005) Angew. Chem. , vol.117 , pp. 1820-1839
- Paulini, R.¹ Müller, K.² Diederich, F.³

40
- 17044421336
- Angew. Chem. Int. Ed. 2005, 44, 1788-1805.
- (2005) Angew. Chem. Int. Ed. , vol.44 , pp. 1788-1805

41
- 0034710722
- For a similarly positioned conserved water molecule in co-crystal structures of phenylamidinium ligands bound to factor Xa, see
- For a similarly positioned conserved water molecule in co-crystal structures of phenylamidinium ligands bound to factor Xa, see:, S. Maignan, J.-P. Guilloteau, S. Pouzieux, Y. M. Choi-Sledeski, M. R. Becker, S. I. Klein, W. R. Ewing, H. W. Pauls, A. P. Spada, V. Mikol, J. Med. Chem. 2000, 43, 3226-3232.
- (2000) J. Med. Chem. , vol.43 , pp. 3226-3232
- Maignan, S.¹ Guilloteau, J.-P.² Pouzieux, S.³ Choi-Sledeski, Y.M.⁴ Becker, M.R.⁵ Klein, S.I.⁶ Ewing, W.R.⁷ Pauls, H.W.⁸ Spada, A.P.⁹ Mikol, V.¹⁰

42
- 0037468471
- S. Maignan, J.-P. Guilloteau, Y. M. Choi-Sledski, M. R. Becker, W. R. Ewing, H. W. Pauls, A. P. Spada, V. Mikol, J. Med. Chem. 2003, 46, 685-690
- (2003) J. Med. Chem. , vol.46 , pp. 685-690
- Maignan, S.¹ Guilloteau, J.-P.² Choi-Sledski, Y.M.³ Becker, M.R.⁴ Ewing, W.R.⁵ Pauls, H.W.⁶ Spada, A.P.⁷ Mikol, V.⁸

43
- 2342452009
- M. Nazaré, H. Matter, O. Klinger, F. Al-Obeidi, H. Schreuder, G. Zoller, J. Czech, M. Lorenz, A. Dudda, A. Peyman, H. P. Nester, M. Urmann, A. Bauer, V. Laux, V. Wehner, D. W. Will, Bioorg. Med. Chem. Lett. 2004, 14, 2801-2805
- (2004) Bioorg. Med. Chem. Lett. , vol.14 , pp. 2801-2805
- Nazaré, M.¹ Matter, H.² Klinger, O.³ Al-Obeidi, F.⁴ Schreuder, H.⁵ Zoller, G.⁶ Czech, J.⁷ Lorenz, M.⁸ Dudda, A.⁹ Peyman, A.¹⁰ Nester, H.P.¹¹ Urmann, M.¹² Bauer, A.¹³ Laux, V.¹⁴ Wehner, V.¹⁵ Will, D.W.¹⁶

44
- 3142727707
- M. Nazaré, M. Essrich, D. W. Will, H. Matter, K. Ritter, M. Urmann, A. Bauer, H. Schreuder, J. Czech, M. Lorenz, V. Laux, V. Wehner, Bioorg. Med. Chem. Lett. 2004, 14, 4197-4201
- (2004) Bioorg. Med. Chem. Lett. , vol.14 , pp. 4197-4201
- Nazaré, M.¹ Essrich, M.² Will, D.W.³ Matter, H.⁴ Ritter, K.⁵ Urmann, M.⁶ Bauer, A.⁷ Schreuder, H.⁸ Czech, J.⁹ Lorenz, M.¹⁰ Laux, V.¹¹ Wehner, V.¹²

45
- 34547810878
- J. T. Kohrt, C. F. Bigge, J. W. Bryant, A. Casimiro-Garcia, L. Chi, W. L. Cody, T. Dahring, D. A. Dudley, K. J. Filipski, S. Haarer, R. Heemstra, N. Janiczek, L. Narasimhan, J. McClanahan, J. T. Peterson, V. Sahasrabudhe, R. Schaum, C. A. VanHuis, K. M. Welch, E. Zhang, R. J. Leadley, J. J. Edmunds, Chem. Biol. Drug Des. 2007, 70, 100-112
- (2007) Chem. Biol. Drug Des. , vol.70 , pp. 100-112
- Kohrt, J.T.¹ Bigge, C.F.² Bryant, J.W.³ Casimiro-Garcia, A.⁴ Chi, L.⁵ Cody, W.L.⁶ Dahring, T.⁷ Dudley, D.A.⁸ Filipski, K.J.⁹ Haarer, S.¹⁰ Heemstra, R.¹¹ Janiczek, N.¹² Narasimhan, L.¹³ McClanahan, J.¹⁴ Peterson, J.T.¹⁵ Sahasrabudhe, V.¹⁶ Schaum, R.¹⁷ Vanhuis, C.A.¹⁸ Welch, K.M.¹⁹ Zhang, E.²⁰ Leadley, R.J.²¹ Edmunds, J.J.²² more..

46
- 34447325902
- J. X. Qiao, C.-H. Chang, D. L. Cheney, P. E. Morin, G. Z. Wang, S. R. King, T. C. Wang, A. R. Rendina, J. M. Luettgen, R. M. Knabb, R. R. Wexler, P. Y. S. Lam, Bioorg. Med. Chem. Lett. 2007, 17, 4419-4427
- (2007) Bioorg. Med. Chem. Lett. , vol.17 , pp. 4419-4427
- Qiao, J.X.¹ Chang, C.-H.² Cheney, D.L.³ Morin, P.E.⁴ Wang, G.Z.⁵ King, S.R.⁶ Wang, T.C.⁷ Rendina, A.R.⁸ Luettgen, J.M.⁹ Knabb, R.M.¹⁰ Wexler, R.R.¹¹ Lam, P.Y.S.¹²

47
- 57349194524
- Y. Shi, D. Sitkoff, J. Zhang, H. E. Klei, K. Kish, E. C.-K. Liu, K. S. Hartl, S. M. Seiler, M. Chang, C. Huang, S. Youssef, T. E. Steinbacher, W. A. Schumacher, N. Grazier, A. Pudzianowski, A. Apedo, L. Discenza, J. Yanchunas, Jr., P. D. Stein, K. S. Atwal, J. Med. Chem. 2008, 51, 7541-7551
- (2008) J. Med. Chem. , vol.51 , pp. 7541-7551
- Shi, Y.¹ Sitkoff, D.² Zhang, J.³ Klei, H.E.⁴ Kish, K.⁵ Liu, E.C.-K.⁶ Hartl, K.S.⁷ Seiler, S.M.⁸ Chang, M.⁹ Huang, C.¹⁰ Youssef, S.¹¹ Steinbacher, T.E.¹² Schumacher, W.A.¹³ Grazier, N.¹⁴ Pudzianowski, A.¹⁵ Apedo, A.¹⁶ Discenza, L.¹⁷ Yanchunas Jr., J.¹⁸ Stein, P.D.¹⁹ Atwal, K.S.²⁰ more..

48
- 67349271141
- K. Groebke Zbinden, L. Anselm, D. W. Banner, J. Benz, F. Blasco, G. Décoret, J. Himber, B. Kuhn, N. Panday, F. Ricklin, P. Risch, D. Schlatter, M. Stahl, S. Thomi, R. Unger, W. Haap, Eur. J. Med. Chem. 2009, 44, 2787-2795.
- (2009) Eur. J. Med. Chem. , vol.44 , pp. 2787-2795
- Zbinden, K.G.¹ Anselm, L.² Banner, D.W.³ Benz, J.⁴ Blasco, F.⁵ Décoret, G.⁶ Himber, J.⁷ Kuhn, B.⁸ Panday, N.⁹ Ricklin, F.¹⁰ Risch, P.¹¹ Schlatter, D.¹² Stahl, M.¹³ Thomi, S.¹⁴ Unger, R.¹⁵ Haap, W.¹⁶

49
- 40949163431
- R. Abel, T. Young, R. Farid, B. J. Berne, R. A. Friesner, J. Am. Chem. Soc. 2008, 130, 2817-2831
- (2008) J. Am. Chem. Soc. , vol.130 , pp. 2817-2831
- Abel, R.¹ Young, T.² Farid, R.³ Berne, B.J.⁴ Friesner, R.A.⁵

50
- 38849196324
- P. Ball, Chem. Rev. 2008, 108, 74-108
- (2008) Chem. Rev. , vol.108 , pp. 74-108
- Ball, P.¹

51
- 41549091964
- B. C. Roberts, R. L. Mancera, J. Chem. Inf. Model. 2008, 48, 397-408
- (2008) J. Chem. Inf. Model. , vol.48 , pp. 397-408
- Roberts, B.C.¹ Mancera, R.L.²

52
- 50249094315
- N. Huang, B. K. Shoichet, J. Med. Chem. 2008, 51, 4862-4865
- (2008) J. Med. Chem. , vol.51 , pp. 4862-4865
- Huang, N.¹ Shoichet, B.K.²

53
- 70149093410
- H. Yu, S. W. Rick, J. Am. Chem. Soc. 2009, 131, 6608-6613
- (2009) J. Am. Chem. Soc. , vol.131 , pp. 6608-6613
- Yu, H.¹ Rick, S.W.²

54
- 73449138429
- T. Ritschel, P. C. Kohler, G. Neudert, A. Heine, F. Diederich, G. Klebe, ChemMedChem 2009, 4, 2012-2023
- (2009) ChemMedChem , vol.4 , pp. 2012-2023
- Ritschel, T.¹ Kohler, P.C.² Neudert, G.³ Heine, A.⁴ Diederich, F.⁵ Klebe, G.⁶

55
- 79955769824
- M. Ellermann, R. Jakob-Roetne, C. Lerner, E. Borroni, D. Schlatter, D. Roth, A. Ehler, M. G. Rudolph, F. Diederich, Angew. Chem. 2009, 121, 9256-9260
- (2009) Angew. Chem. , vol.121 , pp. 9256-9260
- Ellermann, M.¹ Jakob-Roetne, R.² Lerner, C.³ Borroni, E.⁴ Schlatter, D.⁵ Roth, D.⁶ Ehler, A.⁷ Rudolph, M.G.⁸ Diederich, F.⁹

56
- 70449558129
- Angew. Chem. Int. Ed. 2009, 48, 9092-9096
- (2009) Angew. Chem. Int. Ed. , vol.48 , pp. 9092-9096

57
- 77949358478
- S. B. A. deBeer, N. P. E. Vermeulen, C. Oostenbrink, Curr. Top. Med. Chem. 2010, 10, 55-66
- (2010) Curr. Top. Med. Chem. , vol.10 , pp. 55-66
- Debeer, S.B.A.¹ Vermeulen, N.P.E.² Oostenbrink, C.³

58
- 79957585828
- R. Abel, N. K. Salam, J. Shelley, R. Farid, R. A. Friesner, W. Sherman, ChemMedChem 2011, 6, 1049-1066
- (2011) ChemMedChem , vol.6 , pp. 1049-1066
- Abel, R.¹ Salam, N.K.² Shelley, J.³ Farid, R.⁴ Friesner, R.A.⁵ Sherman, W.⁶

59
- 78650667884
- S. E. Wong, F. C. Lightstone, Expert Opin. Drug Discovery 2011, 6, 65-74.
- (2011) Expert Opin. Drug Discovery , vol.6 , pp. 65-74
- Wong, S.E.¹ Lightstone, F.C.²

60
- 34848848499
- K. Müller, C. Faeh, F. Diederich, Science 2007, 317, 1881-1886.
- (2007) Science , vol.317 , pp. 1881-1886
- Müller, K.¹ Faeh, C.² Diederich, F.³

61
- 0034926661
- B. E. Smart, J. Fluorine Chem. 2001, 109, 3-11.
- (2001) J. Fluorine Chem. , vol.109 , pp. 3-11
- Smart, B.E.¹

62
- 78649747478
- H. G. Wallnoefer, T. Fox, K. R. Liedl, C. S. Tautermann, Phys. Chem. Chem. Phys. 2010, 12, 14941-14949.
- (2010) Phys. Chem. Chem. Phys. , vol.12 , pp. 14941-14949
- Wallnoefer, H.G.¹ Fox, T.² Liedl, K.R.³ Tautermann, C.S.⁴

63
- 0001676488
- A. D. Hamilton, D. VanEngen, J. Am. Chem. Soc. 1987, 109, 5035-5036
- (1987) J. Am. Chem. Soc. , vol.109 , pp. 5035-5036
- Hamilton, A.D.¹ Vanengen, D.²

64
- 0023683023
- A. V. Muehldorf, D. VanEngen, J. C. Warner, A. D. Hamilton, J. Am. Chem. Soc. 1988, 110, 6561-6562
- (1988) J. Am. Chem. Soc. , vol.110 , pp. 6561-6562
- Muehldorf, A.V.¹ Vanengen, D.² Warner, J.C.³ Hamilton, A.D.⁴

65
- 0001367546
- G. R. Desiraju, Angew. Chem. 1995, 107, 2541-2558
- (1995) Angew. Chem. , vol.107 , pp. 2541-2558
- Desiraju, G.R.¹

66
- 33745394944
- Angew. Chem. Int. Ed. Engl.Angew. Chem. Int. Ed. 1995, 34, 2311-2327
- (1995) Angew. Chem. Int. Ed. Engl.Angew. Chem. Int. Ed. , vol.34 , pp. 2311-2327

67
- 20444479110
- P. Metrangolo, H. Neukirch, T. Pilati, G. Resnati, Acc. Chem. Res. 2005, 38, 386-395
- (2005) Acc. Chem. Res. , vol.38 , pp. 386-395
- Metrangolo, P.¹ Neukirch, H.² Pilati, T.³ Resnati, G.⁴

68
- 63749111136
- P. Metrangolo, F. Meyer, T. Pilati, G. Resnati, G. Terraneo, Angew. Chem. 2008, 120, 6206-6220
- (2008) Angew. Chem. , vol.120 , pp. 6206-6220
- Metrangolo, P.¹ Meyer, F.² Pilati, T.³ Resnati, G.⁴ Terraneo, G.⁵

69
- 49649125704
- Angew. Chem. Int. Ed. 2008, 47, 6114-6127
- (2008) Angew. Chem. Int. Ed. , vol.47 , pp. 6114-6127

70
- 79960619970
- L. A. Hardegger, B. Kuhn, B. Spinnler, L. Anselm, R. Ecabert, M. Stihle, B. Gsell, R. Thoma, J. Diez, J. Benz, J.-M. Plancher, G. Hartmann, D. W. Banner, W. Haap, F. Diederich, Angew. Chem. 2011, 123, 329-334
- (2011) Angew. Chem. , vol.123 , pp. 329-334
- Hardegger, L.A.¹ Kuhn, B.² Spinnler, B.³ Anselm, L.⁴ Ecabert, R.⁵ Stihle, M.⁶ Gsell, B.⁷ Thoma, R.⁸ Diez, J.⁹ Benz, J.¹⁰ Plancher, J.-M.¹¹ Hartmann, G.¹² Banner, D.W.¹³ Haap, W.¹⁴ Diederich, F.¹⁵

71
- 78650706711
- Angew. Chem. Int. Ed. 2011, 50, 314-318.
- (2011) Angew. Chem. Int. Ed. , vol.50 , pp. 314-318

72
- 0027879008
- W. Kabsch, J. Appl. Crystallogr. 1993, 26, 795-800.
- (1993) J. Appl. Crystallogr. , vol.26 , pp. 795-800
- Kabsch, W.¹

73
- 0028103275
- Collaborative Computational Project, Number 4
- Collaborative Computational Project, Number 4, Acta Crystallogr. Sect. D 1994, 50, 760-763.
- (1994) Acta Crystallogr. Sect. D , vol.50 , pp. 760-763

74
- 13244281317
- P. Emsley, K. Cowtan, Acta Crystallogr., Sect. D: Biol. Crystallogr. 2004, 60, 2126-2132.
- (2004) Acta Crystallogr., Sect. D: Biol. Crystallogr. , vol.60 , pp. 2126-2132
- Emsley, P.¹ Cowtan, K.²

75
- 0030924992
- G. N. Murshudov, A. A. Vagin, E. J. Dodson, Acta Crystallogr., Sect. D: Biol. Crystallogr. 1997, 53, 240-255.
- (1997) Acta Crystallogr., Sect. D: Biol. Crystallogr. , vol.53 , pp. 240-255
- Murshudov, G.N.¹ Vagin, A.A.² Dodson, E.J.³

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.