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Scalable molecular dynamics with NAMD.
Phillips JC, Braun R, Wang W, Gumbart J, Tajkhorshid E, Villa E, Chipot C, Skeel RD, Kalé L, Schulten K. Phillips JC, et al. Among authors: schulten k. J Comput Chem. 2005 Dec;26(16):1781-802. doi: 10.1002/jcc.20289. J Comput Chem. 2005. PMID: 16222654 Free PMC article.
Molecular dynamics simulation on a network of workstations using a machine-independent parallel programming language.
Shifman MA, Windemuth A, Schulten K, Miller PL. Shifman MA, et al. Among authors: schulten k. Comput Biomed Res. 1992 Apr;25(2):168-80. doi: 10.1016/0010-4809(92)90019-7. Comput Biomed Res. 1992. PMID: 1582193
Chromophore-protein interactions and the function of the photosynthetic reaction center: a molecular dynamics study.
Treutlein H, Schulten K, Brünger AT, Karplus M, Deisenhofer J, Michel H. Treutlein H, et al. Among authors: schulten k. Proc Natl Acad Sci U S A. 1992 Jan 1;89(1):75-9. doi: 10.1073/pnas.89.1.75. Proc Natl Acad Sci U S A. 1992. PMID: 1729721 Free PMC article.
Molecular dynamics investigation of the interaction between DNA and distamycin.
Boehncke K, Nonella M, Schulten K, Wang AH. Boehncke K, et al. Among authors: schulten k. Biochemistry. 1991 Jun 4;30(22):5465-75. doi: 10.1021/bi00236a020. Biochemistry. 1991. PMID: 2036415
Molecular dynamics study of the 13-cis form (bR548) of bacteriorhodopsin and its photocycle.
Logunov I, Humphrey W, Schulten K, Sheves M. Logunov I, et al. Among authors: schulten k. Biophys J. 1995 Apr;68(4):1270-82. doi: 10.1016/S0006-3495(95)80301-2. Biophys J. 1995. PMID: 7787017 Free PMC article.
The simulation resulted in structures consistent with the J, K, and L intermediates observed in the photocycle of bR548. The results offer an explanation of why an unprotonated retinal Schiff base intermediate, i.e., an M state, is not formed in the bR548 photocycle. ...
The simulation resulted in structures consistent with the J, K, and L intermediates observed in the photocycle of bR548. The results …
Molecular dynamics study of bacteriorhodopsin and artificial pigments.
Humphrey W, Logunov I, Schulten K, Sheves M. Humphrey W, et al. Among authors: schulten k. Biochemistry. 1994 Mar 29;33(12):3668-78. doi: 10.1021/bi00178a025. Biochemistry. 1994. PMID: 8142365
Molecular dynamics study of the proton pump cycle of bacteriorhodopsin.
Zhou F, Windemuth A, Schulten K. Zhou F, et al. Among authors: schulten k. Biochemistry. 1993 Mar 9;32(9):2291-306. doi: 10.1021/bi00060a022. Biochemistry. 1993. PMID: 8443172
., & Schulten, K. (1991) Photochem. Photobiol. 54, 937-948]. We investigated two mechanisms suggested previously for the proton pump cycle, the 13-cis isomerization model (C-T model) and the 13,14-dicis isomerization model. ...
., & Schulten, K. (1991) Photochem. Photobiol. 54, 937-948]. We investigated two mechanisms suggested previously for the p …
Molecular dynamics study of the M412 intermediate of bacteriorhodopsin.
Xu D, Sheves M, Schulten K. Xu D, et al. Among authors: schulten k. Biophys J. 1995 Dec;69(6):2745-60. doi: 10.1016/S0006-3495(95)80146-3. Biophys J. 1995. PMID: 8599681 Free PMC article.
Molecular dynamics study of glucocorticoid receptor-DNA binding.
Bishop TC, Schulten K. Bishop TC, et al. Among authors: schulten k. Proteins. 1996 Jan;24(1):115-33. doi: 10.1002/(SICI)1097-0134(199601)24:1<115::AID-PROT8>3.0.CO;2-J. Proteins. 1996. PMID: 8628727
Molecular dynamics study of phospholipase A2 on a membrane surface.
Zhou F, Schulten K. Zhou F, et al. Among authors: schulten k. Proteins. 1996 May;25(1):12-27. doi: 10.1002/(SICI)1097-0134(199605)25:1<12::AID-PROT2>3.0.CO;2-M. Proteins. 1996. PMID: 8727316
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