-
1
-
-
0034813458
-
Ligand diffusion in the catalase from Proteus mirabilis: A molecular dynamics study
-
Amara, P., Andreoletti, P., Jouve, H.M., and Field, M.J. 2001. Ligand diffusion in the catalase from Proteus mirabilis: A molecular dynamics study. Protein Sci. 10: 1927-1935.
-
(2001)
Protein Sci
, vol.10
, pp. 1927-1935
-
-
Amara, P.1
Andreoletti, P.2
Jouve, H.M.3
Field, M.J.4
-
2
-
-
4944223384
-
Neuroglobin and cytoglobin
-
Ascenzi, P., Bocedi, A., de Sanctis, D., Pesce, A., Bolognesi, M., Marden, M.C., Dewilde, S., Moens, L., Hankeln, T., and Burmester, T. 2004. Neuroglobin and cytoglobin. Biochem. Mol. Biol. 32: 305-313.
-
(2004)
Biochem. Mol. Biol
, vol.32
, pp. 305-313
-
-
Ascenzi, P.1
Bocedi, A.2
de Sanctis, D.3
Pesce, A.4
Bolognesi, M.5
Marden, M.C.6
Dewilde, S.7
Moens, L.8
Hankeln, T.9
Burmester, T.10
-
3
-
-
0016828929
-
Dynamics of ligand binding to myoglobin
-
Austin, R.H., Beeson, K.W., Eisenstein, L., Frauenfelder, H., and Gunsalus, I.C. 1975. Dynamics of ligand binding to myoglobin. Biochemistry 14: 5355-5373.
-
(1975)
Biochemistry
, vol.14
, pp. 5355-5373
-
-
Austin, R.H.1
Beeson, K.W.2
Eisenstein, L.3
Frauenfelder, H.4
Gunsalus, I.C.5
-
4
-
-
0036606442
-
Water in protein cavities: A procedure to identify internal water and exchange pathways and application to fatty-acid proteins
-
Bakowies, D. and van Gunsteren, W.F. 2002. Water in protein cavities: A procedure to identify internal water and exchange pathways and application to fatty-acid proteins. Proteins 47: 534-545.
-
(2002)
Proteins
, vol.47
, pp. 534-545
-
-
Bakowies, D.1
van Gunsteren, W.F.2
-
5
-
-
33750587438
-
Molecular dynamics with coupling to an external bath
-
Berendsen, H.J.C., Postma, J.P.M., van Gunsteren, W.F., DiNola, A., and Haak, J.R. 1984. Molecular dynamics with coupling to an external bath. J. Chem. Phys. 81: 3684-3690.
-
(1984)
J. Chem. Phys
, vol.81
, pp. 3684-3690
-
-
Berendsen, H.J.C.1
Postma, J.P.M.2
van Gunsteren, W.F.3
DiNola, A.4
Haak, J.R.5
-
6
-
-
2942655520
-
Extended molecular dynamics simulation of the carbon monoxide migration in sperm whale myoglobin
-
Bossa, C., Anselmi, M., Roccatano, D., Amadei, A., Vallone, B., Brunori, M., and Di Nola, A. 2004. Extended molecular dynamics simulation of the carbon monoxide migration in sperm whale myoglobin. Biophys. J. 86: 3855-3862.
-
(2004)
Biophys. J
, vol.86
, pp. 3855-3862
-
-
Bossa, C.1
Anselmi, M.2
Roccatano, D.3
Amadei, A.4
Vallone, B.5
Brunori, M.6
Di Nola, A.7
-
7
-
-
23244457434
-
Molecular dynamics simulation of sperm whale myoglobin: Effects of mutations and trapped CO on the structure and dynamics of cavities
-
Bossa, C., Amadei, A., Daidone, I., Anselmi, M., Vallone, B., Brunori, M., and Di Nola, A. 2005. Molecular dynamics simulation of sperm whale myoglobin: Effects of mutations and trapped CO on the structure and dynamics of cavities. Biophys. J. 89: 465-474.
-
(2005)
Biophys. J
, vol.89
, pp. 465-474
-
-
Bossa, C.1
Amadei, A.2
Daidone, I.3
Anselmi, M.4
Vallone, B.5
Brunori, M.6
Di Nola, A.7
-
8
-
-
0041758430
-
Complex landscape of protein structural dynamics unveiled by nanosecond Laue crystallography
-
Bourgeois, D., Vallone, B., Schotte, F., Arcovito, A., Miele, A.E., Sciara, G., Wulff, M., Anfinrud, P., and Brunori, M. 2003. Complex landscape of protein structural dynamics unveiled by nanosecond Laue crystallography. Proc. Natl. Acad. Sci. 100: 8704-8709.
-
(2003)
Proc. Natl. Acad. Sci
, vol.100
, pp. 8704-8709
-
-
Bourgeois, D.1
Vallone, B.2
Schotte, F.3
Arcovito, A.4
Miele, A.E.5
Sciara, G.6
Wulff, M.7
Anfinrud, P.8
Brunori, M.9
-
9
-
-
84986512474
-
CHARMM: A program for macromolecular energy, minimization and molecular dynamics calculations
-
Brooks, B., Bruccoleri, R., Olafson, B., States, D., Swaminathan, S., and Karplus, M. 1983. CHARMM: A program for macromolecular energy, minimization and molecular dynamics calculations. J. Comput. Chem. 4: 187-217.
-
(1983)
J. Comput. Chem
, vol.4
, pp. 187-217
-
-
Brooks, B.1
Bruccoleri, R.2
Olafson, B.3
States, D.4
Swaminathan, S.5
Karplus, M.6
-
10
-
-
0034091637
-
The role of cavities in protein dynamics: Crystal structure of a photolytic intermediate of a mutant myoglobin
-
Brunori, M., Vallone, B., Cutruzolla, F., Travaglini-Allocatelli, C., Berendzen, J., Chu, K., Sweet, R.M., and Schlichting, I. 2000. The role of cavities in protein dynamics: Crystal structure of a photolytic intermediate of a mutant myoglobin. Proc. Natl. Acad. Sci. 97: 2058-2063.
-
(2000)
Proc. Natl. Acad. Sci
, vol.97
, pp. 2058-2063
-
-
Brunori, M.1
Vallone, B.2
Cutruzolla, F.3
Travaglini-Allocatelli, C.4
Berendzen, J.5
Chu, K.6
Sweet, R.M.7
Schlichting, I.8
-
11
-
-
0034867130
-
Cavities and packing defects in the structural dynamics of myoglobin
-
Brunori, M. and Gibson, Q.H. 2001. Cavities and packing defects in the structural dynamics of myoglobin. EMBO Rep. 2: 674-679.
-
(2001)
EMBO Rep
, vol.2
, pp. 674-679
-
-
Brunori, M.1
Gibson, Q.H.2
-
12
-
-
0030031593
-
Distal cavity fluctuations in myoglobin: Protein motion and ligand diffusion
-
Carlson, M.L., Regan, R.M., and Gibson, Q.H. 1996. Distal cavity fluctuations in myoglobin: Protein motion and ligand diffusion. Biochemistry 35: 1125-1136.
-
(1996)
Biochemistry
, vol.35
, pp. 1125-1136
-
-
Carlson, M.L.1
Regan, R.M.2
Gibson, Q.H.3
-
13
-
-
0034708201
-
Structure of a ligand-binding intermediate in wild-type carbonmonoxymyoglobin
-
Chu, K., Vojtechovsky, J., McMahon, B.H., Sweet, R.M., Berendzen, J., and Schlichting, I. 2000. Structure of a ligand-binding intermediate in wild-type carbonmonoxymyoglobin. Nature 403: 921-923.
-
(2000)
Nature
, vol.403
, pp. 921-923
-
-
Chu, K.1
Vojtechovsky, J.2
McMahon, B.H.3
Sweet, R.M.4
Berendzen, J.5
Schlichting, I.6
-
14
-
-
1042286374
-
Crystal structure of cytoglobin: The fourth globin type discovered in man displays heme hexa-coordination
-
de Sanctis, D., Dewilde, S., Pesce, A., Moens, L., Ascenzi, P., Hankeln, T., Burmester, T., and Bolognesi, M. 2004a. Crystal structure of cytoglobin: The fourth globin type discovered in man displays heme hexa-coordination. J. Mol. Biol. 336: 917-927.
-
(2004)
J. Mol. Biol
, vol.336
, pp. 917-927
-
-
de Sanctis, D.1
Dewilde, S.2
Pesce, A.3
Moens, L.4
Ascenzi, P.5
Hankeln, T.6
Burmester, T.7
Bolognesi, M.8
-
15
-
-
1642377942
-
Mapping protein matrix cavities in human cytoglobin through Xe atom binding
-
de Sanctis, D., Dewilde, S., Pesce, A., Moens, L., Ascenzi, P., Hankeln, T., Burmester, T., and Bolognesi, M. 2004b. Mapping protein matrix cavities in human cytoglobin through Xe atom binding. Biochem. Biophys. Res. Commun. 316: 1217-1221.
-
(2004)
Biochem. Biophys. Res. Commun
, vol.316
, pp. 1217-1221
-
-
de Sanctis, D.1
Dewilde, S.2
Pesce, A.3
Moens, L.4
Ascenzi, P.5
Hankeln, T.6
Burmester, T.7
Bolognesi, M.8
-
16
-
-
0035940433
-
Probing the open state of cytochrome P450cam with ruthenium-linker substrates
-
Dunn, A.R., Dmoichowski, I.J., Bilwes, A.M., Gray, H.B., and Crane, B.R. 2001. Probing the open state of cytochrome P450cam with ruthenium-linker substrates. Proc. Natl. Acad. Sci. 98: 12421-12425.
-
(2001)
Proc. Natl. Acad. Sci
, vol.98
, pp. 12421-12425
-
-
Dunn, A.R.1
Dmoichowski, I.J.2
Bilwes, A.M.3
Gray, H.B.4
Crane, B.R.5
-
17
-
-
0025600834
-
Enhanced sampling in molecular dynamics: Use of the time-dependent Hartree approximation for a simulation of carbon monoxide diffusion through myoglobin
-
Elber, R. and Karplus, M. 1990. Enhanced sampling in molecular dynamics: Use of the time-dependent Hartree approximation for a simulation of carbon monoxide diffusion through myoglobin. J. Am. Chem. Soc. 112: 9161-9175.
-
(1990)
J. Am. Chem. Soc
, vol.112
, pp. 9161-9175
-
-
Elber, R.1
Karplus, M.2
-
18
-
-
0034028925
-
Protein dynamics in an intermediate state of myoglobin: Optical absorption, resonance raman spectroscopy, and X-ray structure analysis
-
Engler, N., Ostermann, A., Gassmann, A., Lamb, D.C., Prusakov, V.E., Schott, J., Schweitzer-Stenner, R., and Parak, F.G. 2000. Protein dynamics in an intermediate state of myoglobin: Optical absorption, resonance raman spectroscopy, and X-ray structure analysis. Biophys. J. 78: 2081-2092.
-
(2000)
Biophys. J
, vol.78
, pp. 2081-2092
-
-
Engler, N.1
Ostermann, A.2
Gassmann, A.3
Lamb, D.C.4
Prusakov, V.E.5
Schott, J.6
Schweitzer-Stenner, R.7
Parak, F.G.8
-
19
-
-
33645961739
-
A smooth particle mesh Ewald method
-
Essmann, U., Perera, L., Berkowitz, M.L., Darden, T., Lee, H., and Pedersen, L.G. 1995. A smooth particle mesh Ewald method. J. Chem. Phys. 103: 8577-8593.
-
(1995)
J. Chem. Phys
, vol.103
, pp. 8577-8593
-
-
Essmann, U.1
Perera, L.2
Berkowitz, M.L.3
Darden, T.4
Lee, H.5
Pedersen, L.G.6
-
20
-
-
0003241140
-
Free energies of hydration from thermodynamic integration: Comparison of molecular mechanics force fields and evaluation of calculation accuracy
-
Helms, V. and Wade, R.C. 1997. Free energies of hydration from thermodynamic integration: Comparison of molecular mechanics force fields and evaluation of calculation accuracy. J. Comput. Chem. 18: 449-462.
-
(1997)
J. Comput. Chem
, vol.18
, pp. 449-462
-
-
Helms, V.1
Wade, R.C.2
-
21
-
-
7444230904
-
Unveiling functional protein motions with picosecond X-ray crystallography and molecular dynamics simulations
-
Hummer, G., Schotte, F., and Anfinrud, P.A. 2004. Unveiling functional protein motions with picosecond X-ray crystallography and molecular dynamics simulations. Proc. Natl. Acad. Sci. 101: 15330-15334.
-
(2004)
Proc. Natl. Acad. Sci
, vol.101
, pp. 15330-15334
-
-
Hummer, G.1
Schotte, F.2
Anfinrud, P.A.3
-
22
-
-
0004016501
-
Comparison of simple potential functions for simulating liquid water
-
Jorgensen, W.L., Chandrasekhar, J., Madura, J.D., Impey, R.W., and Klein, M.L. 1983. Comparison of simple potential functions for simulating liquid water. J. Chem. Phys. 79: 926-935.
-
(1983)
J. Chem. Phys
, vol.79
, pp. 926-935
-
-
Jorgensen, W.L.1
Chandrasekhar, J.2
Madura, J.D.3
Impey, R.W.4
Klein, M.L.5
-
23
-
-
0030845843
-
Model-building and refinement practice
-
Kleywegt, G.J. and Jones, T.A. 1997. Model-building and refinement practice. Methods Enzymol. 277: 208-230.
-
(1997)
Methods Enzymol
, vol.277
, pp. 208-230
-
-
Kleywegt, G.J.1
Jones, T.A.2
-
24
-
-
0038472283
-
Ligand dynamics in a protein internal cavity
-
Kriegl, J.M., Nienhaus, K., Deng, P., Fuchs, J., and Nienhaus, G.U. 2003. Ligand dynamics in a protein internal cavity. Proc. Natl. Acad. Sci. 100: 7063-7074.
-
(2003)
Proc. Natl. Acad. Sci
, vol.100
, pp. 7063-7074
-
-
Kriegl, J.M.1
Nienhaus, K.2
Deng, P.3
Fuchs, J.4
Nienhaus, G.U.5
-
25
-
-
0037023751
-
Structural dynamics of myoglobin. Ligand migration among protein cavities studied by FTI/TDS spectroscopy
-
Lamb, D.C., Nienhaus, K., Arcovito, A., Draghi, F., Miele, A.E., Brunori, M., and Nienhaus, G.U. 2002. Structural dynamics of myoglobin. Ligand migration among protein cavities studied by FTI/TDS spectroscopy. J. Biol. Chem. 277: 11636-11644.
-
(2002)
J. Biol. Chem
, vol.277
, pp. 11636-11644
-
-
Lamb, D.C.1
Nienhaus, K.2
Arcovito, A.3
Draghi, F.4
Miele, A.E.5
Brunori, M.6
Nienhaus, G.U.7
-
26
-
-
0032190305
-
Analytical shape computation of macromolecules: I. Molecular area and volume through alpha shape
-
Liang, J., Edelsbrunner, H., Fu, P., Sudhakar, P.V., and Subramaniam, S. 1998a. Analytical shape computation of macromolecules: I. Molecular area and volume through alpha shape. Proteins 33: 1-17.
-
(1998)
Proteins
, vol.33
, pp. 1-17
-
-
Liang, J.1
Edelsbrunner, H.2
Fu, P.3
Sudhakar, P.V.4
Subramaniam, S.5
-
27
-
-
0032189626
-
Analytical shape computation of macromolecules: II. Inacessible cavities in proteins
-
Liang, J., Edelsbrunner, H., Fu, P., Sudhakar, P.V., and Subramaniam, S. 1998b. Analytical shape computation of macromolecules: II. Inacessible cavities in proteins. Proteins 33: 18-29.
-
(1998)
Proteins
, vol.33
, pp. 18-29
-
-
Liang, J.1
Edelsbrunner, H.2
Fu, P.3
Sudhakar, P.V.4
Subramaniam, S.5
-
28
-
-
0034634393
-
How do substrates enter and products exit the buried active site of cytochrome P450cam? 1. Random expulsion molecular dynamics investigation of ligand access channels and mechanisms
-
Lüdemann, S.K., Lounnas, V., and Wade, R.C. 2000a. How do substrates enter and products exit the buried active site of cytochrome P450cam? 1. Random expulsion molecular dynamics investigation of ligand access channels and mechanisms. J. Mol. Biol. 303: 797-811.
-
(2000)
J. Mol. Biol
, vol.303
, pp. 797-811
-
-
Lüdemann, S.K.1
Lounnas, V.2
Wade, R.C.3
-
29
-
-
0034634391
-
How do substrates enter and products exit the buried active site of cytochrome P450cam? 2. Steered molecular dynamics and adiabatic mapping of substrate pathways
-
Lüdemann, S.K., Lounnas, V., and Wade, R.C. 2000b. How do substrates enter and products exit the buried active site of cytochrome P450cam? 2. Steered molecular dynamics and adiabatic mapping of substrate pathways. J. Mol. Biol. 303: 813-830.
-
(2000)
J. Mol. Biol
, vol.303
, pp. 813-830
-
-
Lüdemann, S.K.1
Lounnas, V.2
Wade, R.C.3
-
30
-
-
0041784950
-
-
MacKerell Jr., A.D., Bashford, D., Bellott, M., Dunbrack Jr., R.L., Evanseck, J.D., Field, M.J., Fischer, S., Gao, J., Guo, H., Ha, S., et al. 1998. All-atom empirical potential for molecular modeling and dynamics studies of proteins. J. Phys. Chem. B 102: 3586-3616.
-
MacKerell Jr., A.D., Bashford, D., Bellott, M., Dunbrack Jr., R.L., Evanseck, J.D., Field, M.J., Fischer, S., Gao, J., Guo, H., Ha, S., et al. 1998. All-atom empirical potential for molecular modeling and dynamics studies of proteins. J. Phys. Chem. B 102: 3586-3616.
-
-
-
-
31
-
-
0031880931
-
Computer simulations of carbon monoxide photodissociation in myoglobin: Structural interpretation of the B states
-
Meller, J. and Elber, R. 1998. Computer simulations of carbon monoxide photodissociation in myoglobin: Structural interpretation of the B states. Biophys. J. 74: 789-802.
-
(1998)
Biophys. J
, vol.74
, pp. 789-802
-
-
Meller, J.1
Elber, R.2
-
32
-
-
2442705539
-
Heme-ligand tunneling in group I truncated hemoglobins
-
Milani, M., Pesce, A., Ouellet, Y., Dewilde, S., Friedman, J., Ascenzi, P., Guertin, M., and Bolognesi, M. 2004. Heme-ligand tunneling in group I truncated hemoglobins. J. Biol. Chem. 279: 21520-21525.
-
(2004)
J. Biol. Chem
, vol.279
, pp. 21520-21525
-
-
Milani, M.1
Pesce, A.2
Ouellet, Y.3
Dewilde, S.4
Friedman, J.5
Ascenzi, P.6
Guertin, M.7
Bolognesi, M.8
-
33
-
-
23144439273
-
Internal cavities and ligand passageways in human hemoglobin characterized by molecular dynamics simulations
-
Mouawad, L., Marechal, J.-D., and Perahia, D. 2005. Internal cavities and ligand passageways in human hemoglobin characterized by molecular dynamics simulations. Biochim. Biophys. Acta 1724: 385-393.
-
(2005)
Biochim. Biophys. Acta
, vol.1724
, pp. 385-393
-
-
Mouawad, L.1
Marechal, J.-D.2
Perahia, D.3
-
34
-
-
0036157060
-
The effect of ligand dynamics on heme electronic transition band III in myoglobin
-
Nienhaus, K., Lamb, D.C., Deng, P., and Nienhaus, G.U. 2002. The effect of ligand dynamics on heme electronic transition band III in myoglobin. Biophys. J. 82: 1059-1067.
-
(2002)
Biophys. J
, vol.82
, pp. 1059-1067
-
-
Nienhaus, K.1
Lamb, D.C.2
Deng, P.3
Nienhaus, G.U.4
-
35
-
-
0041742184
-
Structural dynamics of myoglobin: Effect of internal cavities on ligand migration and binding
-
Nienhaus, K., Deng, P., Kriegl, J.M., and Nienhaus, G.U. 2003a. Structural dynamics of myoglobin: Effect of internal cavities on ligand migration and binding. Biochemistry 42: 9647-9658.
-
(2003)
Biochemistry
, vol.42
, pp. 9647-9658
-
-
Nienhaus, K.1
Deng, P.2
Kriegl, J.M.3
Nienhaus, G.U.4
-
36
-
-
0042242570
-
Structural dynamics of myoglobin: Spectroscopic and structural characterization of ligand docking sites in myoglobin mutant L29W
-
Nienhaus, K., Deng, P., Kriegl, J.M., and Nienhaus, G.U. 2003b. Structural dynamics of myoglobin: Spectroscopic and structural characterization of ligand docking sites in myoglobin mutant L29W. Biochemistry 42: 9633-9646.
-
(2003)
Biochemistry
, vol.42
, pp. 9633-9646
-
-
Nienhaus, K.1
Deng, P.2
Kriegl, J.M.3
Nienhaus, G.U.4
-
37
-
-
0034624691
-
Ligand binding and conformational motions in myoglobin
-
Ostermann, A., Waschipky, R., Parak, F.G., and Nienhaus, G.U. 2000. Ligand binding and conformational motions in myoglobin. Nature 404: 205-208.
-
(2000)
Nature
, vol.404
, pp. 205-208
-
-
Ostermann, A.1
Waschipky, R.2
Parak, F.G.3
Nienhaus, G.U.4
-
38
-
-
0022273620
-
The 2.6 Å crystal structure of Pseudomonas putida CytP450
-
Poulos, T.L., Finzel, B.C., Gunsalus, I.C., Wagner, G.C., and Kraut, J. 1985. The 2.6 Å crystal structure of Pseudomonas putida CytP450. J. Biol. Chem. 260: 16122-16130.
-
(1985)
J. Biol. Chem
, vol.260
, pp. 16122-16130
-
-
Poulos, T.L.1
Finzel, B.C.2
Gunsalus, I.C.3
Wagner, G.C.4
Kraut, J.5
-
39
-
-
0023645035
-
High-resolution crystal structure of cytochrome P450cam
-
Poulos, T.L., Finzel, B.C., and Howard, A.J. 1987. High-resolution crystal structure of cytochrome P450cam. J. Mol. Biol. 195: 687-700.
-
(1987)
J. Mol. Biol
, vol.195
, pp. 687-700
-
-
Poulos, T.L.1
Finzel, B.C.2
Howard, A.J.3
-
40
-
-
0002306796
-
Exploring hydrophobic sites in proteins with xenon or krypton
-
Prangé, T., Schiltz, M., Pernot, L., Colloc'h, N., Longhi, S., Bourguet, W., and Fourme, R. 1998. Exploring hydrophobic sites in proteins with xenon or krypton. Proteins 30: 61-73.
-
(1998)
Proteins
, vol.30
, pp. 61-73
-
-
Prangé, T.1
Schiltz, M.2
Pernot, L.3
Colloc'h, N.4
Longhi, S.5
Bourguet, W.6
Fourme, R.7
-
41
-
-
3943081412
-
Structural aspects of ligand binding to and electron transfer in bacterial and fungal P450s
-
Pylypenko, O. and Schlichting, I. 2004. Structural aspects of ligand binding to and electron transfer in bacterial and fungal P450s. Annu. Rev. Biochem. 73: 991-1018.
-
(2004)
Annu. Rev. Biochem
, vol.73
, pp. 991-1018
-
-
Pylypenko, O.1
Schlichting, I.2
-
42
-
-
0024974060
-
Crystal structure of the carbon-monoxide-substrate-cytochrome P-450CAM ternary complex
-
Raag, R. and Poulos, T.L. 1989. Crystal structure of the carbon-monoxide-substrate-cytochrome P-450CAM ternary complex. Biochemistry 28: 7586-7592.
-
(1989)
Biochemistry
, vol.28
, pp. 7586-7592
-
-
Raag, R.1
Poulos, T.L.2
-
43
-
-
1842815139
-
Kinetic proofreading by the cavity system of myoglobin: Protection from poisoning
-
Radding, W. and Phillips Jr., G.N. 2004. Kinetic proofreading by the cavity system of myoglobin: Protection from poisoning. Bioessays 26: 422-433.
-
(2004)
Bioessays
, vol.26
, pp. 422-433
-
-
Radding, W.1
Phillips Jr., G.N.2
-
45
-
-
12944281624
-
Lattice models, packing density, and Boltzmann-like distribution of cavities in proteins
-
Rashin, A.A. and Rashin, A.H. 2005. Lattice models, packing density, and Boltzmann-like distribution of cavities in proteins. Proteins 58: 547-559.
-
(2005)
Proteins
, vol.58
, pp. 547-559
-
-
Rashin, A.A.1
Rashin, A.H.2
-
46
-
-
0036385795
-
Detection and characterization of xenon-binding sites in proteins by 129Xe NMR spectroscopy
-
Rubin, S.M., Lee, S.-Y., Ruiz, E.J., Pines, A., and Wemmer, D.E. 2002. Detection and characterization of xenon-binding sites in proteins by 129Xe NMR spectroscopy. J. Mol. Biol. 322: 425-440.
-
(2002)
J. Mol. Biol
, vol.322
, pp. 425-440
-
-
Rubin, S.M.1
Lee, S.-Y.2
Ruiz, E.J.3
Pines, A.4
Wemmer, D.E.5
-
47
-
-
33646940952
-
Numerical integration of the Cartesian equations of motion for a system with constraints: Molecular dynamics of n-alkanes
-
Ryckaert, J.-P., Ciccotti, G., and Berendsen, H.J.C. 1977. Numerical integration of the Cartesian equations of motion for a system with constraints: Molecular dynamics of n-alkanes. J. Comput. Phys. 23: 327-341.
-
(1977)
J. Comput. Phys
, vol.23
, pp. 327-341
-
-
Ryckaert, J.-P.1
Ciccotti, G.2
Berendsen, H.J.C.3
-
48
-
-
0033857394
-
Crystallographic structure determination of unstable species
-
Schlichting, I. 2000. Crystallographic structure determination of unstable species. Acc. Chem. Res. 33: 532-538.
-
(2000)
Acc. Chem. Res
, vol.33
, pp. 532-538
-
-
Schlichting, I.1
-
49
-
-
0038047431
-
Watching a protein as it functions with 150-ps time-resolved X-ray crystallography
-
Schotte, F., Lim, M., Jackson, T.A., Smirnov, A.V., Soman, J., Olson, J.S., Phillips Jr., G.N., Wulff, M., and Anfinrud, P.A. 2003. Watching a protein as it functions with 150-ps time-resolved X-ray crystallography. Science 300: 1944-1947.
-
(2003)
Science
, vol.300
, pp. 1944-1947
-
-
Schotte, F.1
Lim, M.2
Jackson, T.A.3
Smirnov, A.V.4
Soman, J.5
Olson, J.S.6
Phillips Jr., G.N.7
Wulff, M.8
Anfinrud, P.A.9
-
50
-
-
0030768765
-
Ligand migration in sperm whale myoglobin
-
Scott, E.E. and Gibson, Q.H. 1997. Ligand migration in sperm whale myoglobin. Biochemistry 36: 11909-11917.
-
(1997)
Biochemistry
, vol.36
, pp. 11909-11917
-
-
Scott, E.E.1
Gibson, Q.H.2
-
52
-
-
0035923445
-
Protein conformational relaxation and ligand migration in myoglobin: A nanosecond to millisecond movie from time-resolved Laue X-ray diffraction
-
Srajer, V., Ren, Z., Teng, T.-Y., Schmidt, M., Ursby, T., Bourgeois, D., Pradervand, C., Schildkamp, W., Wulff, M., and Moffat, K. 2001. Protein conformational relaxation and ligand migration in myoglobin: A nanosecond to millisecond movie from time-resolved Laue X-ray diffraction. Biochemistry 40: 13802-13815.
-
(2001)
Biochemistry
, vol.40
, pp. 13802-13815
-
-
Srajer, V.1
Ren, Z.2
Teng, T.-Y.3
Schmidt, M.4
Ursby, T.5
Bourgeois, D.6
Pradervand, C.7
Schildkamp, W.8
Wulff, M.9
Moffat, K.10
-
53
-
-
1642534622
-
Myoglobin cavities provide interior ligand pathway
-
Teeter, M.M. 2004. Myoglobin cavities provide interior ligand pathway. Protein Sci. 13: 313-318.
-
(2004)
Protein Sci
, vol.13
, pp. 313-318
-
-
Teeter, M.M.1
-
54
-
-
23144435806
-
Dominant features of protein reaction dynamics: Conformational relaxation and ligand migration
-
Tetreau, C. and Lavalette, D. 2005. Dominant features of protein reaction dynamics: conformational relaxation and ligand migration. Biochim. Biophys. Acta 1724: 411-424.
-
(2005)
Biochim. Biophys. Acta
, vol.1724
, pp. 411-424
-
-
Tetreau, C.1
Lavalette, D.2
-
55
-
-
0346057931
-
Competition with xenon elicits ligand migration and escape pathways in myoglobin
-
Tetreau, C., Blouquit, Y., Novikov, E., Quiniou, E., and Lavalette, D. 2004. Competition with xenon elicits ligand migration and escape pathways in myoglobin. Biophys. J. 86: 435-447.
-
(2004)
Biophys. J
, vol.86
, pp. 435-447
-
-
Tetreau, C.1
Blouquit, Y.2
Novikov, E.3
Quiniou, E.4
Lavalette, D.5
-
57
-
-
0021766921
-
Cavities in proteins: Structure of a metmyoglobin-xenon complex solved to 1.9 Å
-
Tilton, R.F., Kuntz, I.D., and Petsko, G.A. 1984. Cavities in proteins: Structure of a metmyoglobin-xenon complex solved to 1.9 Å. Biochemistry 23: 2849-2857.
-
(1984)
Biochemistry
, vol.23
, pp. 2849-2857
-
-
Tilton, R.F.1
Kuntz, I.D.2
Petsko, G.A.3
-
58
-
-
10344238615
-
Water clusters in nonpolar cavities
-
Vaitheeswaran, S., Yin, H., Rasaiah, J.C., and Hummer, G. 2004. Water clusters in nonpolar cavities. Proc. Natl. Acad. Sci. 101: 17002-17005.
-
(2004)
Proc. Natl. Acad. Sci
, vol.101
, pp. 17002-17005
-
-
Vaitheeswaran, S.1
Yin, H.2
Rasaiah, J.C.3
Hummer, G.4
-
59
-
-
0026189146
-
A molecular dynamics study of thermodynamic and structural aspects of the hydration of cavities in proteins
-
Wade, R.C., Mazor, M.H., McCannon, J.A., and Quiocho, F.A. 1991. A molecular dynamics study of thermodynamic and structural aspects of the hydration of cavities in proteins. Biopolymers 8: 919-931.
-
(1991)
Biopolymers
, vol.8
, pp. 919-931
-
-
Wade, R.C.1
Mazor, M.H.2
McCannon, J.A.3
Quiocho, F.A.4
-
60
-
-
3042587451
-
A survey of active site access channels in cytochromes P450
-
Wade, R.C., Winn, P.J., Schlichting, I., and Sudarko, 2004. A survey of active site access channels in cytochromes P450. J. Inorg. Biochem. 98: 1175-1182.
-
(2004)
J. Inorg. Biochem
, vol.98
, pp. 1175-1182
-
-
Wade, R.C.1
Winn, P.J.2
Schlichting, I.3
Sudarko4
-
61
-
-
0028095182
-
Buried waters and internal cavities in monomeric proteins
-
Williams, M.A., Goodfellow, J.M., and Thornton, J.M. 1994. Buried waters and internal cavities in monomeric proteins. Protein Sci. 3: 1224-1235.
-
(1994)
Protein Sci
, vol.3
, pp. 1224-1235
-
-
Williams, M.A.1
Goodfellow, J.M.2
Thornton, J.M.3
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