SCOPUS 정보 검색 플랫폼

Volumn 100, Issue 16, 1996, Pages 6389-6392

Prediction of pKa shifts without truncation of electrostatic interactions: An explicit solvent calculation for succinic acid

(3) Figueirido, Francisco a Del Buono, Gabriela S a Levy, Ronald M a

a RUTGERS UNIVERSITY (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001625211 PISSN: 00223654 EISSN: None Source Type: Journal
DOI: 10.1021/jp9600524 Document Type: Article

Times cited : (33)

References (47)

1
- 36849138378
- Kirkwood, J. G.; Westheimer, F. H. J. Chem. Phys. 1938, 6, 506-512.
- (1938) J. Chem. Phys. , vol.6 , pp. 506-512
- Kirkwood, J.G.¹ Westheimer, F.H.²

2
- 7044233785
- Westheimer, F. H.; Kirkwood, J. G. J. Chem. Phys. 1938, 6, 513-517.
- (1938) J. Chem. Phys. , vol.6 , pp. 513-517
- Westheimer, F.H.¹ Kirkwood, J.G.²

3
- 0040775132
- Westheimer, F. H.; Shookhoff, M. W. J. Am. Chem. Soc. 1939, 61, 555-560.
- (1939) J. Am. Chem. Soc. , vol.61 , pp. 555-560
- Westheimer, F.H.¹ Shookhoff, M.W.²

4
- 0025197061
- Bashford, D.; Karplus, M. Biochemistry 1990, 29, 10219-10225.
- (1990) Biochemistry , vol.29 , pp. 10219-10225
- Bashford, D.¹ Karplus, M.²

5
- 0022248941
- Russell, S. T.; Warshel, A. J. Mol. Biol. 1985, 185, 389-404.
- (1985) J. Mol. Biol. , vol.185 , pp. 389-404
- Russell, S.T.¹ Warshel, A.²

6
- 0023060081
- Warshel, A.; Sussman, F.; King, G. Biochemistry 1986, 25, 8368-8372.
- (1986) Biochemistry , vol.25 , pp. 8368-8372
- Warshel, A.¹ Sussman, F.² King, G.³

7
- 0000831443
- Rashin, A. A.; Rabinowitz, J. R.; Banfelder, J. R. J. Am. Chem. Soc. 1990, 112, 4133-4137.
- (1990) J. Am. Chem. Soc. , vol.112 , pp. 4133-4137
- Rashin, A.A.¹ Rabinowitz, J.R.² Banfelder, J.R.³

8
- 0000083584
- King, G.; Lee, F. S.; Warshel, A. J. Chem. Phys. 1991, 95, 4366-4377.
- (1991) J. Chem. Phys. , vol.95 , pp. 4366-4377
- King, G.¹ Lee, F.S.² Warshel, A.³

9
- 0027563464
- Yang, A.-S.; Gunner, M. R.; Sampogna, R.; Sharp, K.; Honig, B. Proteins 1993, 15, 252-265.
- (1993) Proteins , vol.15 , pp. 252-265
- Yang, A.-S.¹ Gunner, M.R.² Sampogna, R.³ Sharp, K.⁴ Honig, B.⁵

10
- 0028218956
- Sampogna, R. V.; Honig, B. Biophys. J. 1993, 66, 1341-1352.
- (1993) Biophys. J. , vol.66 , pp. 1341-1352
- Sampogna, R.V.¹ Honig, B.²

11
- 0000431645
- Potter, M. J.; Gilson, M. K.; McCammon, J. A. J. Am. Chem. Soc. 1994, 116, 10298-10299.
- (1994) J. Am. Chem. Soc. , vol.116 , pp. 10298-10299
- Potter, M.J.¹ Gilson, M.K.² McCammon, J.A.³

12
- 0028305457
- Antosiewicz, J.; McCammon, J. A.; Gilson, M. K. J. Mol. Biol. 1994, 238, 415-436.
- (1994) J. Mol. Biol. , vol.238 , pp. 415-436
- Antosiewicz, J.¹ McCammon, J.A.² Gilson, M.K.³

13
- 0028169692
- Del Buono, G. S.; Figueirido, F. E.; Levy, R. M. Proteins 1994, 20, 85-97.
- (1994) Proteins , vol.20 , pp. 85-97
- Del Buono, G.S.¹ Figueirido, F.E.² Levy, R.M.³

14
- 0000053068
- Rajasekaran, E.; Jayaram, B.; Honig, B. J. Am. Chem. Soc. 1994, 116, 8238-8240.
- (1994) J. Am. Chem. Soc. , vol.116 , pp. 8238-8240
- Rajasekaran, E.¹ Jayaram, B.² Honig, B.³

15
- 33748630640
- MacKerell, A. D., Jr.; Sommer, M. S.; Karplus, M. J. Mol. Biol. 1995, 245, 1-34.
- (1995) J. Mol. Biol. , vol.245 , pp. 1-34
- MacKerell Jr., A.D.¹ Sommer, M.S.² Karplus, M.³

16
- 0003421978
- Plenum Press: New York
- Martell, A. E.; Smith, R. N. Critical Stability Constants; Plenum Press: New York, 1974; Vol. I-VI.
- (1974) Critical Stability Constants , vol.1-6
- Martell, A.E.¹ Smith, R.N.²

17
- 84977266737
- Ewald, P. P. Ann. Phys. 1921, 64, 253-287.
- (1921) Ann. Phys. , vol.64 , pp. 253-287
- Ewald, P.P.¹

18
- 0000432575
- Adams, D. J. J. Chem. Phys. 1983, 78, 2585-2590.
- (1983) J. Chem. Phys. , vol.78 , pp. 2585-2590
- Adams, D.J.¹

19
- 0001234645
- Neumann, M.; Steinhauser, O. Chem. Phys. Lett. 1983, 95, 417-422.
- (1983) Chem. Phys. Lett. , vol.95 , pp. 417-422
- Neumann, M.¹ Steinhauser, O.²

20
- 36749115010
- Andrea, T. A.; Swope, W. C.; Andersen, H. C. J. Chem. Phys. 1983, 79, 4576-4584.
- (1983) J. Chem. Phys. , vol.79 , pp. 4576-4584
- Andrea, T.A.¹ Swope, W.C.² Andersen, H.C.³

21
- 0001539065
- Alper, H. E.; Levy, R. M. J. Chem. Phys. 1989, 91, 1242-1251.
- (1989) J. Chem. Phys. , vol.91 , pp. 1242-1251
- Alper, H.E.¹ Levy, R.M.²

22
- 0002502155
- Belhadj, M.; Alper, H. E.; Levy, R. M. Chem. Phys. Lett. 1991, 179, 13-20.
- (1991) Chem. Phys. Lett. , vol.179 , pp. 13-20
- Belhadj, M.¹ Alper, H.E.² Levy, R.M.³

23
- 0001458825
- Rick, S. W.; Berne, B. J. J. Am. Chem. Soc. 1994, 116, 3949-3954.
- (1994) J. Am. Chem. Soc. , vol.116 , pp. 3949-3954
- Rick, S.W.¹ Berne, B.J.²

24
- 0029370681
- Hummer, G.; Pratt, L. G.; García, A. J. Phys. Chem. 1995, 99, 14188-14194.
- (1995) J. Phys. Chem. , vol.99 , pp. 14188-14194
- Hummer, G.¹ Pratt, L.G.² García, A.³

25
- 0001175209
- Adams, D. J. Chem. Phys. Lett. 1979, 62, 329-332.
- (1979) Chem. Phys. Lett. , vol.62 , pp. 329-332
- Adams, D.J.¹

26
- 84947141091
- Hummer, G.; Soumpasis, D. M.; Neumann, M. Mol. Phys. 1992, 77, 769-785.
- (1992) Mol. Phys. , vol.77 , pp. 769-785
- Hummer, G.¹ Soumpasis, D.M.² Neumann, M.³

27
- 0000174678
- Roberts, J. E.; Schnitker, J. J. Chem. Phys. 1994, 101, 5024-5031.
- (1994) J. Chem. Phys. , vol.101 , pp. 5024-5031
- Roberts, J.E.¹ Schnitker, J.²

28
- 33748601072
- On finite-size effects in computer simulations using the Ewald summation method
- in press
- Figueirido, F. E.; Del Buono, G. S.; Levy, R. M. On finite-size effects in computer simulations using the Ewald summation method. J. Chem. Phys., in press.
- J. Chem. Phys.
- Figueirido, F.E.¹ Del Buono, G.S.² Levy, R.M.³

29
- 33748625035
- In preparation
- Del Buono, G. S.; Figueirido, F. E.; Levy, R. M. Solvent dielectric response in computer simulations using the Ewald summation formula. In preparation.
- Solvent Dielectric Response in Computer Simulations Using the Ewald Summation Formula
- Del Buono, G.S.¹ Figueirido, F.E.² Levy, R.M.³

30
- 0026755515
- Schreiber, H.; Steinhauser, O. Biochemistry 1992, 31, 5856-5860.
- (1992) Biochemistry , vol.31 , pp. 5856-5860
- Schreiber, H.¹ Steinhauser, O.²

31
- 36449007976
- York, D. M.; Darden, T. A.; Pedersen, L. G. J. Chem. Phys. 1993, 99, 8345-8348.
- (1993) J. Chem. Phys. , vol.99 , pp. 8345-8348
- York, D.M.¹ Darden, T.A.² Pedersen, L.G.³

32
- 33749637456
- Jayaram, B.; Fine, R.; Sharp, K. A.; Honig, B. J. Phys. Chem. 1989, 93, 4320-4327.
- (1989) J. Phys. Chem. , vol.93 , pp. 4320-4327
- Jayaram, B.¹ Fine, R.² Sharp, K.A.³ Honig, B.⁴

33
- 5544264558
- Levy, R. M.; Belhadj, M.; Kitchen, D. B. J. Chem. Phys. 1991, 95, 3627-3633.
- (1991) J. Chem. Phys. , vol.95 , pp. 3627-3633
- Levy, R.M.¹ Belhadj, M.² Kitchen, D.B.³

34
- 84986532547
- Kitchen, D. B.; Hirata, F.; Westbrook, J. D.; Levy, R. M.; Kofke, D.; Yarmush, M. J. Comp. Chem. 1990, 11, 1169-1180.
- (1990) J. Comp. Chem. , vol.11 , pp. 1169-1180
- Kitchen, D.B.¹ Hirata, F.² Westbrook, J.D.³ Levy, R.M.⁴ Kofke, D.⁵ Yarmush, M.⁶

35
- 0004067382
- Reidel: Dordrecht
- Berendsen, H. J. C.; Postma, J. P. M.; van Gunsteren, W. F.; Hermans, J. Intermolecular Forces; Reidel: Dordrecht, 1981.
- (1981) Intermolecular Forces
- Berendsen, H.J.C.¹ Postma, J.P.M.² Van Gunsteren, W.F.³ Hermans, J.⁴

36
- 0001635093
- Allen, F. H.; Bellard, S.; Brice, M. D.; Cartwright, B. A.; Doubleday, A.; Higgs, H.; Hummelink, T.; Kennard, O.; Motherwell, W. D. S.; Rogers, J. R.; Watson, D. G. Acta Crystallogr. 1979, B35, 2331-2339.
- (1979) Acta Crystallogr. , vol.B35 , pp. 2331-2339
- Allen, F.H.¹ Bellard, S.² Brice, M.D.³ Cartwright, B.A.⁴ Doubleday, A.⁵ Higgs, H.⁶ Hummelink, T.⁷ Kennard, O.⁸ Motherwell, W.D.S.⁹ Rogers, J.R.¹⁰ Watson, D.G.¹¹

37
- 0000286919
- Leviel, J.-L.; Auvert, G.; Savariault, J.-M. Acta Crystallogr. 1981, B37, 2185.
- (1981) Acta Crystallogr. , vol.B37 , pp. 2185
- Leviel, J.-L.¹ Auvert, G.² Savariault, J.-M.³

38
- 48749148224
- Andersen, H. C. J. Comput. Phys. 1983, 52, 24-34.
- (1983) J. Comput. Phys. , vol.52 , pp. 24-34
- Andersen, H.C.¹

39
- 0002098788
- Kornfeld, H. Z. Phys. 1924, 22, 27-43.
- (1924) Z. Phys. , vol.22 , pp. 27-43
- Kornfeld, H.¹

40
- 85052507481
- Oxford Science Publications: Oxford
- Allen, M. P.; Tildesley, D. J. Computer Simulation of Liquids; Oxford Science Publications: Oxford, 1991.
- (1991) Computer Simulation of Liquids
- Allen, M.P.¹ Tildesley, D.J.²

41
- 84988053694
- Weiner, S. J.; Kollman, P. A.; Nguyen, D. T.; Case, D. A. J. Comput. Chem. 1986, 7, 230-252.
- (1986) J. Comput. Chem. , vol.7 , pp. 230-252
- Weiner, S.J.¹ Kollman, P.A.² Nguyen, D.T.³ Case, D.A.⁴

42
- 33750587438
- Berendsen, H. J. C.; Postma, J. P.; van Gunsteren, W. F.; DiNola, A.; Haak, J. R. J. Chem. Phys. 1984, 81, 3684-3690.
- (1984) J. Chem. Phys. , vol.81 , pp. 3684-3690
- Berendsen, H.J.C.¹ Postma, J.P.² Van Gunsteren, W.F.³ DiNola, A.⁴ Haak, J.R.⁵

43
- 0004133516
- Gaussian, Inc.: Pittsburgh, PA, Revision A
- Frisch, M. J.; Trucks, G. W.; Head-Gordon, M.; Gill, P. M. W.; Wong, M. W.; Foresman, J. B.; Johnson, B. G.; Schlegel, H. B.; Robb, M. A.; Replogle, E. S.; Gomperts, R.; Andres, J. L.; Raghavachari, K.; Binkley, J. S.; González, C.; Martin, R. L.; Fox, D. J.; Defrees, D. J.; Baker, J.; Stewart, J. J. P.; Pople, J. A. Gaussian 92; Gaussian, Inc.: Pittsburgh, PA, 1992; Revision A.
- (1992) Gaussian 92
- Frisch, M.J.¹ Trucks, G.W.² Head-Gordon, M.³ Gill, P.M.W.⁴ Wong, M.W.⁵ Foresman, J.B.⁶ Johnson, B.G.⁷ Schlegel, H.B.⁸ Robb, M.A.⁹ Replogle, E.S.¹⁰ Gomperts, R.¹¹ Andres, J.L.¹² Raghavachari, K.¹³ Binkley, J.S.¹⁴ González, C.¹⁵ Martin, R.L.¹⁶ Fox, D.J.¹⁷ Defrees, D.J.¹⁸ Baker, J.¹⁹ Stewart, J.J.P.²⁰ Pople, J.A.²¹ more..

44
- 0009590921
- Jorgensen, W. L. Acc. Chem. Res. 1989, 22, 184-189.
- (1989) Acc. Chem. Res. , vol.22 , pp. 184-189
- Jorgensen, W.L.¹

45
- 0000140870
- Ding, Y.; Bernardo, D.; Krogh-Jespersen, K.; Levy, R. M. J. Phys. Chem. 1995, 99, 11575-11583.
- (1995) J. Phys. Chem. , vol.99 , pp. 11575-11583
- Ding, Y.¹ Bernardo, D.² Krogh-Jespersen, K.³ Levy, R.M.⁴

46
- 84988087911
- Gilson, M. K.; Sharp, K. A.; Honig, B. J. Comput. Chem. 1987, 9, 327-335.
- (1987) J. Comput. Chem. , vol.9 , pp. 327-335
- Gilson, M.K.¹ Sharp, K.A.² Honig, B.³

47
- 0017429069
- Richards, F. M. Annu. Rev. Biophys. Bioeng. 1977, 6, 151-176.
- (1977) Annu. Rev. Biophys. Bioeng. , vol.6 , pp. 151-176
- Richards, F.M.¹

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.