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Physical Chemistry Chemical Physics

Volumn 9, Issue 43, 2007, Pages 5761-5771

Binding free energy prediction in strongly hydrophobic biomolecular systems

(5) Charlier, Landry a Nespoulous, Claude b,c Fiorucci, Sébastien a Antonczak, Serge a Golebiowski, Jérome a

a UNIVERSITÉ CÔTE D'AZUR (France)

b UNIVERSITÉ PARIS SACLAY (France)

c Campus SupAgroINRA ^* (France)

Author keywords

[No Author keywords available]

Indexed keywords

LIPOCALIN; PYRAZINE DERIVATIVE;

ARTICLE; BINDING SITE; CALORIMETRY; CHEMICAL STRUCTURE; CHEMISTRY; THERMODYNAMICS;

BINDING SITES; CALORIMETRY; LIPOCALINS; MODELS, MOLECULAR; MOLECULAR STRUCTURE; PYRAZINES; THERMODYNAMICS;

EID: 35748934457 PISSN: 14639076 EISSN: None Source Type: Journal
DOI: 10.1039/b710186d Document Type: Article

Times cited : (26)

References (40)

1
- 7044239742
- P. A. Kollman Chem. Rev. 1993 93 2395 2417
- (1993) Chem. Rev. , vol.93 , pp. 2395-2417
- Kollman, P.A.¹

2
- 0030887944
- J. Hermans L. Wang J. Am. Chem. Soc. 1997 119 2707 2714
- (1997) J. Am. Chem. Soc. , vol.119 , pp. 2707-2714
- Hermans, J.¹ Wang, L.²

3
- 0141682863
- S. Boresch F. Tettinger M. Leitgeb J. Phys. Chem. B 2003 107 9535 9551
- (2003) J. Phys. Chem. B , vol.107 , pp. 9535-9551
- Boresch, S.¹ Tettinger, F.² Leitgeb, M.³

4
- 0347949637
- J. M. J. Swanson R. H. Henchman J. A. McCammon Biophys. J. 2004 86 67 74
- (2004) Biophys. J. , vol.86 , pp. 67-74
- Swanson, J.M.J.¹ Henchman, R.H.² McCammon, J.A.³

5
- 33646415982
- H. Fujitani Y. Tanida M. Ito G. Jayachandran C. Snow M. R. Shirts E. Sorin V. S. Pande J. Chem. Phys. 2005 123 084108
- (2005) J. Chem. Phys. , vol.123 , pp. 084108
- Fujitani, H.¹ Tanida, Y.² Ito, M.³ Jayachandran, G.⁴ Snow, C.⁵ Shirts, M.R.⁶ Sorin, E.⁷ Pande, V.S.⁸

6
- 33749532284
- J. Wang Y. Deng B. Roux Biophys. J. 2006 91 2798 2814
- (2006) Biophys. J. , vol.91 , pp. 2798-2814
- Wang, J.¹ Deng, Y.² Roux, B.³

7
- 33646178918
- M. S. Lee M. A. Olson Biophys. J. 2006 90 864 877
- (2006) Biophys. J. , vol.90 , pp. 864-877
- Lee, M.S.¹ Olson, M.A.²

8
- 0026606240
- P. C. Weber J. J. Wendoloski M. W. Pantoliano F. R. Salemme J. Am. Chem. Soc. 1992 117 3197 3200
- (1992) J. Am. Chem. Soc. , vol.117 , pp. 3197-3200
- Weber, P.C.¹ Wendoloski, J.J.² Pantoliano, M.W.³ Salemme, F.R.⁴

9
- 0035950796
- S. B. Dixit C. Chipot J. Phys. Chem. A 2001 105 9795 9799
- (2001) J. Phys. Chem. a , vol.105 , pp. 9795-9799
- Dixit, S.B.¹ Chipot, C.²

10
- 0036568354
- T. Lazaridis A. Masunov F. Gandolfo Proteins: Struct., Funct., Genet. 2002 47 194 208
- (2002) Proteins: Struct., Funct., Genet. , vol.47 , pp. 194-208
- Lazaridis, T.¹ Masunov, A.² Gandolfo, F.³

11
- 0035665229
- J. Åqvist Marelius Comb. Chem. High Throughput Screening 2001 4 613 626
- (2001) Comb. Chem. High Throughput Screening , vol.4 , pp. 613-626
- Åqvist, J.¹ Marelius²

12
- 0003604014
- J. Wiley & Sons, New York
- C. Tanford, The Hydrophobic Effect: Formation of Micelles and Biological Membranes, J. Wiley & Sons, New York, 1973
- (1973) The Hydrophobic Effect: Formation of Micelles and Biological Membranes
- Tanford, C.¹

13
- 0141990949
- M. R. Shirts J. D. Pitera W. C. Swope V. S. Pande J. Chem. Phys. 2003 119 5740 5761
- (2003) J. Chem. Phys. , vol.119 , pp. 5740-5761
- Shirts, M.R.¹ Pitera, J.D.² Swope, W.C.³ Pande, V.S.⁴

14
- 3042592839
- L. R. Olano S. W. Rick J. Am. Chem. Soc. 2004 126 7991 8000
- (2004) J. Am. Chem. Soc. , vol.126 , pp. 7991-8000
- Olano, L.R.¹ Rick, S.W.²

15
- 23944481864
- E. Barrat R. J. Bingham D. J. Warner C. A. Laughton S. E. Philipps S. W. Homans J. Am. Chem. Soc. 2005 127 11827 11834
- (2005) J. Am. Chem. Soc. , vol.127 , pp. 11827-11834
- Barrat, E.¹ Bingham, R.J.² Warner, D.J.³ Laughton, C.A.⁴ Philipps, S.E.⁵ Homans, S.W.⁶

16
- 33646168072
- J. Golebiowski S. Antonczak D. Cabrol-Bass J. Mol. Struct. (THEOCHEM) 2006 763 165 174
- (2006) J. Mol. Struct. (THEOCHEM) , vol.763 , pp. 165-174
- Golebiowski, J.¹ Antonczak, S.² Cabrol-Bass, D.³

17
- 0034733389
- F. Vincent S. Spinelli R. Ramoni S. Grolli P. Pelosi C. Cambillau M. Tegoni J. Mol. Biol. 2000 300 127 139
- (2000) J. Mol. Biol. , vol.300 , pp. 127-139
- Vincent, F.¹ Spinelli, S.² Ramoni, R.³ Grolli, S.⁴ Pelosi, P.⁵ Cambillau, C.⁶ Tegoni, M.⁷

18
- 4944249385
- C. Nespoulous L. Briand M. M. Delage V. Tran J. C. Pernollet Chem. Sens. 2004 29 189 198
- (2004) Chem. Sens. , vol.29 , pp. 189-198
- Nespoulous, C.¹ Briand, L.² Delage, M.M.³ Tran, V.⁴ Pernollet, J.C.⁵

19
- 0032103101
- D. Löbel S. Marchese J. Krieger P. Pelosi H. Breer Eur. J. Biochem. 1998 254 318 324
- (1998) Eur. J. Biochem. , vol.254 , pp. 318-324
- Löbel, D.¹ Marchese, S.² Krieger, J.³ Pelosi, P.⁴ Breer, H.⁵

20
- 33645221480
- L. Tcatchoff C. Nespoulous J. C. Pernollet L. Briand FEBS Lett. 2006 580 2102 2108
- (2006) FEBS Lett. , vol.580 , pp. 2102-2108
- Tcatchoff, L.¹ Nespoulous, C.² Pernollet, J.C.³ Briand, L.⁴

21
- 0036200906
- D. Löbel M. Jacob M. Völkner H. Breer Chem. Sens. 2002 27 39 44
- (2002) Chem. Sens. , vol.27 , pp. 39-44
- Löbel, D.¹ Jacob, M.² Völkner, M.³ Breer, H.⁴

22
- 0033539496
- T. V. Burova Y. Choiset C. K. Jankowski T. Haertle Biochemistry 1999 38 15043 15051
- (1999) Biochemistry , vol.38 , pp. 15043-15051
- Burova, T.V.¹ Choiset, Y.² Jankowski, C.K.³ Haertle, T.⁴

23
- 33947424283
- J. Golebiowski S. Antonczak S. Fiorucci D. Cabrol-Bass Proteins: Struct. Funct., Bioinform. 2007 67 448 458
- (2007) Proteins: Struct. Funct., Bioinform. , vol.67 , pp. 448-458
- Golebiowski, J.¹ Antonczak, S.² Fiorucci, S.³ Cabrol-Bass, D.⁴

24
- 10744231573
- R. J. Bingham J. B. C. Findlay S. Y. Hsieh A. P. Kalverda A. Kjellberg C. Perazzollo S. E. V. Philipps K. Seshardi C. H. Trinh W. B. Turnbull G. Bodenhausen S. W. J. Homans J. Am. Chem. Soc. 2004 126 1675 1681
- (2004) J. Am. Chem. Soc. , vol.126 , pp. 1675-1681
- Bingham, R.J.¹ Findlay, J.B.C.² Hsieh, S.Y.³ Kalverda, A.P.⁴ Kjellberg, A.⁵ Perazzollo, C.⁶ Philipps, S.E.V.⁷ Seshardi, K.⁸ Trinh, C.H.⁹ Turnbull, W.B.¹⁰ Bodenhausen, G.¹¹ Homans, S.W.J.¹²

25
- 0029112951
- H. F. Fischer N. Singh Methods Enzymol. 1995 259 194 221
- (1995) Methods Enzymol. , vol.259 , pp. 194-221
- Fischer, H.F.¹ Singh, N.²

26
- 9244260409
- University of California, San Francisco
- D. A. Case, T. A. Darden, T. A. Cheatham III, C. L. Simmerling, J. Wang, R. E. Duke, R. Luo, K. M. Merz, B. Wang, D. A. Pearlman, M. Crowley, S. Brozell, V. Tsui, H. Gohlke, J. Mongan, V. Hornak, G. Cui, P. Beroza, C. Schafmeister, J. W. Caldwell, W. S. Ross and P. A. Kollman, AMBER 8, University of California, San Francisco, 2004
- (2004) AMBER 8
- Case, D.A.¹ Darden, T.A.² Cheatham III, T.A.³ Simmerling, C.L.⁴ Wang, J.⁵ Duke, R.E.⁶ Luo, R.⁷ Merz, K.M.⁸ Wang, B.⁹ Pearlman, D.A.¹⁰ Crowley, M.¹¹ Brozell, S.¹² Tsui, V.¹³ Gohlke, H.¹⁴ Mongan, J.¹⁵ Hornak, V.¹⁶ Cui, G.¹⁷ Beroza, P.¹⁸ Schafmeister, C.¹⁹ Caldwell, J.W.²⁰ Ross, W.S.²¹ Kollman, P.A.²² more..

28
- 0003871536
- O. Becker, A. MacKerell, B. Roux and M. Watanabe, Marcel Dekker, New York, ch. 5, pp. 169-197
- T. Simonson, in Computational Biochemistry and Biophysics, ed., O. Becker,,, A. MacKerell,,, B. Roux, and, M. Watanabe,, Marcel Dekker, New York, 2000, ch. 5, pp. 169-197
- (2000) Computational Biochemistry and Biophysics, Ed.
- Simonson In, T.¹

29
- 0003451443
- Clarendon Press, Oxford
- M. P. Allen and D. J. Tildesley, Computer Simulations of Liquids, Clarendon Press, Oxford, 1987
- (1987) Computer Simulations of Liquids
- Allen, M.P.¹ Tildesley, D.J.²

30
- 35748942316
- S. Kumar J. M. Rosenberg D. Bouzida R. H. Swendsen P. A. Kollman J. Comput. Chem. 1995 16 1139 1350
- (1995) J. Comput. Chem. , vol.16 , pp. 1139-1350
- Kumar, S.¹ Rosenberg, J.M.² Bouzida, D.³ Swendsen, R.H.⁴ Kollman, P.A.⁵

31
- 0029633155
- B. Roux Comput. Phys. Commun. 1995 91 275 282
- (1995) Comput. Phys. Commun. , vol.91 , pp. 275-282
- Roux, B.¹

32
- 0034521981
- P. A. Kollman I. Massova B. Reyes B. Kuhn S. Huo M. Chong M. Lee T. Lee Y. Duan W. Wang O. Donini P. Cieplak J. Srinivasan D. A. Case T. E. Cheatham III Acc. Chem. Res. 2000 33 889 897
- (2000) Acc. Chem. Res. , vol.33 , pp. 889-897
- Kollman, P.A.¹ Massova, I.² Reyes, B.³ Kuhn, B.⁴ Huo, S.⁵ Chong, M.⁶ Lee, M.⁷ Lee, T.⁸ Duan, Y.⁹ Wang, W.¹⁰ Donini, O.¹¹ Cieplak, P.¹² Srinivasan, J.¹³ Case, D.A.¹⁴ Cheatham III, T.E.¹⁵

33
- 0029395478
- J. D. Dunitz Chem. Biol. 1995 2 709 712
- (1995) Chem. Biol. , vol.2 , pp. 709-712
- Dunitz, J.D.¹

34
- 0037627715
- J. Gsponer U. Haberthur A. Caflisch Proc. Natl. Acad. Sci. U. S. A. 2003 100 5154 5159
- (2003) Proc. Natl. Acad. Sci. U. S. A. , vol.100 , pp. 5154-5159
- Gsponer, J.¹ Haberthur, U.² Caflisch, A.³

35
- 18744372751
- H.-J. Woo B. Roux Proc. Natl. Acad. Sci. U. S. A. 2005 102 6825 6830
- (2005) Proc. Natl. Acad. Sci. U. S. A. , vol.102 , pp. 6825-6830
- Woo, H.-J.¹ Roux, B.²

36
- 33749551900
- E. Hajjar D. Perahia H. Débat C. Nespoulous C. H. Robert J. Biol. Chem. 2006 281 29929 29937
- (2006) J. Biol. Chem. , vol.281 , pp. 29929-29937
- Hajjar, E.¹ Perahia, D.² Débat, H.³ Nespoulous, C.⁴ Robert, C.H.⁵

37
- 4143087050
- S. Park K. Schulten J. Chem. Phys. 2004 120 5946 5961
- (2004) J. Chem. Phys. , vol.120 , pp. 5946-5961
- Park, S.¹ Schulten, K.²

38
- 0004049101
- Wiley, New York, 2nd edn.
- H. B. Callen, Thermodynamics and an Introduction to Thermostatistics, Wiley, New York, 2nd edn., 1985
- (1985) Thermodynamics and An Introduction to Thermostatistics
- Callen, H.B.¹

39
- 0029790266
- D. R. Flower Biochem. J. 1996 318 1 14
- (1996) Biochem. J. , vol.318 , pp. 1-14
- Flower, D.R.¹

40
- 0029294696
- D. R. Flower J. Mol. Recognit. 1995 8 185 195
- (1995) J. Mol. Recognit. , vol.8 , pp. 185-195
- Flower, D.R.¹

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