-
1
-
-
0030876944
-
Molecular dynamics simulations of the two disaccharides of hyaluronan in aqueous solution
-
Almond, A., Sheehan, J.K. and Brass, A. (1997) Molecular dynamics simulations of the two disaccharides of hyaluronan in aqueous solution. Glycobiology, 1, 597-604.
-
(1997)
Glycobiology
, vol.1
, pp. 597-604
-
-
Almond, A.1
Sheehan, J.K.2
Brass, A.3
-
2
-
-
0031696129
-
Dynamic exchange between stabilized conformations predicted for hyaluronan tetrasaccharides: Comparison of molecular dynamics simulations with available NMR data
-
Almond, A., Brass, A. and Sheehan, J.K. (1998a) Dynamic exchange between stabilized conformations predicted for hyaluronan tetrasaccharides: comparison of molecular dynamics simulations with available NMR data. Glycobiology, 8, 973-980.
-
(1998)
Glycobiology
, vol.8
, pp. 973-980
-
-
Almond, A.1
Brass, A.2
Sheehan, J.K.3
-
3
-
-
0032545145
-
Deducing polymeric structure from aqueous molecular dynamics simulations of oligosaccharides: Solution simulations of hyaluronan tetrasaccharides compared with hydrodynamic and x-ray fiber diffraction data from the polymer
-
Almond, A., Brass, A. and Sheehan, J.K. (1998b) Deducing polymeric structure from aqueous molecular dynamics simulations of oligosaccharides: solution simulations of hyaluronan tetrasaccharides compared with hydrodynamic and x-ray fiber diffraction data from the polymer. J. Mol. Biol., 284, 1425-1437.
-
(1998)
J. Mol. Biol.
, vol.284
, pp. 1425-1437
-
-
Almond, A.1
Brass, A.2
Sheehan, J.K.3
-
4
-
-
0015929072
-
Mucopolysaccharides: Comparison of chondroitin sulfate conformations with those of related polyanions
-
Arnott, S., Guss, J.M., Hukins, D.W.L. and Mathews, M.B. (1973) Mucopolysaccharides: comparison of chondroitin sulfate conformations with those of related polyanions. Science, 180, 743-745.
-
(1973)
Science
, vol.180
, pp. 743-745
-
-
Arnott, S.1
Guss, J.M.2
Hukins, D.W.L.3
Mathews, M.B.4
-
5
-
-
33845183280
-
Molecular dynamics simulations of α-D-glucose in aqueous solution
-
Brady, J.W. (1989) Molecular dynamics simulations of α-D-glucose in aqueous solution. J. Am. Chem. Soc., 111, 5155-5165.
-
(1989)
J. Am. Chem. Soc.
, vol.111
, pp. 5155-5165
-
-
Brady, J.W.1
-
6
-
-
0000046092
-
The role of hydrogen bonding in carbohydrates: Molecular dynamics simulations of maltose in aqueous solution
-
Brady, J.W. and Schmidt, R.K. (1993) The role of hydrogen bonding in carbohydrates: molecular dynamics simulations of maltose in aqueous solution. J. Phys. Chem., 97, 958-966.
-
(1993)
J. Phys. Chem.
, vol.97
, pp. 958-966
-
-
Brady, J.W.1
Schmidt, R.K.2
-
7
-
-
84986512474
-
CHARMm: A program for macromolecular energy minimization and dynamics calculations
-
Brooks, B.R., Bruccoleri, R.E., Olafson, B.D., States, D.J., Swaminathan, S. and Karplus, M. (1983) CHARMm: a program for macromolecular energy minimization and dynamics calculations. J. Comp. Chem., 4, 187-217.
-
(1983)
J. Comp. Chem.
, vol.4
, pp. 187-217
-
-
Brooks, B.R.1
Bruccoleri, R.E.2
Olafson, B.D.3
States, D.J.4
Swaminathan, S.5
Karplus, M.6
-
8
-
-
0018170312
-
Calcium chondroitin sulfate: Molecular conformation and organization of polysaccharide chains in a proteoglycan
-
Cael, J.J., Winter, W.T. and Arnott, S. (1978) Calcium chondroitin sulfate: molecular conformation and organization of polysaccharide chains in a proteoglycan. J. Mol. Biol., 125, 21-42.
-
(1978)
J. Mol. Biol.
, vol.125
, pp. 21-42
-
-
Cael, J.J.1
Winter, W.T.2
Arnott, S.3
-
9
-
-
0023051863
-
Controversial glycosaminoglycan conformation
-
Casu, B., Choay, J., Ferro, D.R., Gatti, G., Jacquinet, J.C., Petitou, M., Provasoli, A., Regazzi, M., Sinay, P. and Torri, G. (1986) Controversial glycosaminoglycan conformation. Nature, 322, 215-216.
-
(1986)
Nature
, vol.322
, pp. 215-216
-
-
Casu, B.1
Choay, J.2
Ferro, D.R.3
Gatti, G.4
Jacquinet, J.C.5
Petitou, M.6
Provasoli, A.7
Regazzi, M.8
Sinay, P.9
Torri, G.10
-
10
-
-
1842692143
-
General definition of ring puckering parameters
-
Cremer, D. and Pople, J.A. (1975) General definition of ring puckering parameters. J. Am. Chem. Soc., 97, 1354-1358.
-
(1975)
J. Am. Chem. Soc.
, vol.97
, pp. 1354-1358
-
-
Cremer, D.1
Pople, J.A.2
-
11
-
-
0028533340
-
Modeling of aldopyranosyl ring puckering with MM3 (92)
-
Dowd, M.K., French, A.D. and Reilly, P.J. (1994) Modeling of aldopyranosyl ring puckering with MM3 (92). Carbohydr. Res., 264, 1-19.
-
(1994)
Carbohydr. Res.
, vol.264
, pp. 1-19
-
-
Dowd, M.K.1
French, A.D.2
Reilly, P.J.3
-
13
-
-
0028827060
-
Enzymatic degradation of glycosaminoglycans
-
Ernst, S., Langer, R., Cooney, C.L. and Sasisekharan, R. (1995) Enzymatic degradation of glycosaminoglycans. Crit. Rev. Biochem. Mol. Biol., 30, 387-444.
-
(1995)
Crit. Rev. Biochem. Mol. Biol.
, vol.30
, pp. 387-444
-
-
Ernst, S.1
Langer, R.2
Cooney, C.L.3
Sasisekharan, R.4
-
14
-
-
0029866647
-
Heparin structure and interactions with basic fibroblast growth factor
-
Faham, S., Hileman, R.E., Fromm, J.R., Lindhardt, R.J. and Rees, D.C. (1996) Heparin structure and interactions with basic fibroblast growth factor. Science, 271, 1116-1120.
-
(1996)
Science
, vol.271
, pp. 1116-1120
-
-
Faham, S.1
Hileman, R.E.2
Fromm, J.R.3
Lindhardt, R.J.4
Rees, D.C.5
-
15
-
-
84881454506
-
-
Gaussian, Inc., Pittsburgh, PA
-
Frisch, M.J., Trucks, G.W., Schlegel, H.B., Scuseria, G.E., Robb, M.A., Cheeseman, J.R., Zakrzewski, V.G., Montgomery, J.A., Stratmann, R.E., Burant, J.C., Dapprich, S., Millam, J.M., Daniels, A.D., Kudin, K.N., Strain, M.C., Farkas, O., Tomasi, J., Barone, V., Cossi, M., Cammi, R., Mennucci, B., Pomelli, C., Adamo, C., Clifford, S., Ochterski, J., Petersson, G.A., Ayala, P.Y., Cui, Q., Morokuma, K., Malick, D.K., Rabuck, A.D., Raghavachari, K., Foresman, J.B., Cioslowski, J., Ortiz, J.V., Stefanov, B.B., Liu, G., Liashenko, A., Piskorz, P., Komaromi, I., Gomperts, R., Martin, R.L., Fox, D.J., Keith, T., Al-Laham, M.A., Peng, C.Y., Nanayakkara, A., Gonzalez, C., Challacombe, M., Gill, P.M.W., Johnson, B.G., Chen, W., Wong, M.W., Andres, J.L., Head-Gordon, M., Replogle, E.S. and Pople, J.A. (1998) Gaussian 98 (revision A.2), Gaussian, Inc., Pittsburgh, PA.
-
(1998)
Gaussian 98 (Revision A.2)
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Zakrzewski, V.G.7
Montgomery, J.A.8
Stratmann, R.E.9
Burant, J.C.10
Dapprich, S.11
Millam, J.M.12
Daniels, A.D.13
Kudin, K.N.14
Strain, M.C.15
Farkas, O.16
Tomasi, J.17
Barone, V.18
Cossi, M.19
Cammi, R.20
Mennucci, B.21
Pomelli, C.22
Adamo, C.23
Clifford, S.24
Ochterski, J.25
Petersson, G.A.26
Ayala, P.Y.27
Cui, Q.28
Morokuma, K.29
Malick, D.K.30
Rabuck, A.D.31
Raghavachari, K.32
Foresman, J.B.33
Cioslowski, J.34
Ortiz, J.V.35
Stefanov, B.B.36
Liu, G.37
Liashenko, A.38
Piskorz, P.39
Komaromi, I.40
Gomperts, R.41
Martin, R.L.42
Fox, D.J.43
Keith, T.44
Al-Laham, M.A.45
Peng, C.Y.46
Nanayakkara, A.47
Gonzalez, C.48
Challacombe, M.49
Gill, P.M.W.50
Johnson, B.G.51
Chen, W.52
Wong, M.W.53
Andres, J.L.54
Head-Gordon, M.55
Replogle, E.S.56
Pople, J.A.57
more..
-
16
-
-
0025739394
-
Proteoglycans of articular cartilage changes in ageing and in joint disease
-
Hardingham, T.E. and Bayliss, M.T. (1990) Proteoglycans of articular cartilage changes in ageing and in joint disease. Semin. Arth. Rheum. Suppl., 1, 12-33.
-
(1990)
Semin. Arth. Rheum. Suppl.
, vol.1
, pp. 12-33
-
-
Hardingham, T.E.1
Bayliss, M.T.2
-
17
-
-
0026507880
-
Proteoglycans: Many forms and many functions
-
Hardingham, T.E. and Fosang, A.J. (1992) Proteoglycans: many forms and many functions. FASEB J., 6, 861-870.
-
(1992)
FASEB J.
, vol.6
, pp. 861-870
-
-
Hardingham, T.E.1
Fosang, A.J.2
-
18
-
-
0000432120
-
The potential calculation and some applications
-
Hockney, R.W. (1970) The potential calculation and some applications. Methods Comp. Phys., 9, 135-211.
-
(1970)
Methods Comp. Phys.
, vol.9
, pp. 135-211
-
-
Hockney, R.W.1
-
19
-
-
0025050372
-
A molecular force field for the conformational analysis of oligosaccharides: Comparison of theoretical and crystal structures of Manα1-3Manβ1-4GlcNAc
-
Homans, S.W. (1990) A molecular force field for the conformational analysis of oligosaccharides: comparison of theoretical and crystal structures of Manα1-3Manβ1-4GlcNAc. Biochemistry, 29, 9110-9118.
-
(1990)
Biochemistry
, vol.29
, pp. 9110-9118
-
-
Homans, S.W.1
-
20
-
-
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.
-
(1983)
J. Chem. Phys.
, vol.79
, pp. 926
-
-
Jorgensen, W.L.1
Chandrasekhar, J.2
Madura, J.D.3
Impey, R.W.4
Klein, M.L.5
-
21
-
-
0030475396
-
Anisotropic solvent structuring in aqueous sugar solutions
-
Liu, Q. and Brady (1997) Anisotropic solvent structuring in aqueous sugar solutions. J. Am. Chem. Soc., 118, 12276-12286.
-
(1997)
J. Am. Chem. Soc.
, vol.118
, pp. 12276-12286
-
-
Liu, Q.1
Brady2
-
22
-
-
0032566498
-
Regulated diversity of hepuran sultate
-
Lindahl, U., Kushe-Gullberg, M. and Kjellén, L. (1998) Regulated diversity of hepuran sultate. J. Biol. Chem., 273, 24979-24982.
-
(1998)
J. Biol. Chem.
, vol.273
, pp. 24979-24982
-
-
Lindahl, U.1
Kushe-Gullberg, M.2
Kjellén, L.3
-
23
-
-
0030815133
-
Raster3D: Photorealistic molecular graphics
-
Merritt, E.A. and Bacon, D.J. (1997) Raster3D: photorealistic molecular graphics. Methods Enzymol., 277, 505-524.
-
(1997)
Methods Enzymol.
, vol.277
, pp. 505-524
-
-
Merritt, E.A.1
Bacon, D.J.2
-
24
-
-
0020571295
-
Chondroitin-4-sulfate: Comparison of the structures of the potassium and sodium salts
-
Millane, R.P., Mitra, A.K. and Arnott, S. (1983) Chondroitin-4-sulfate: comparison of the structures of the potassium and sodium salts. J. Mol. Biol., 169, 903-920.
-
(1983)
J. Mol. Biol.
, vol.169
, pp. 903-920
-
-
Millane, R.P.1
Mitra, A.K.2
Arnott, S.3
-
25
-
-
0020565543
-
Hyaluronic acid: Molecular conformations and interactions in the orthorhombic and tetragonal forms containing sinuous chains
-
Mitra, A.K., Raghunathan, S., Sheehan, J.K. and Arnott, S. (1983a) Hyaluronic acid: molecular conformations and interactions in the orthorhombic and tetragonal forms containing sinuous chains. J. Mol. Biol., 169, 829-859.
-
(1983)
J. Mol. Biol.
, vol.169
, pp. 829-859
-
-
Mitra, A.K.1
Raghunathan, S.2
Sheehan, J.K.3
Arnott, S.4
-
26
-
-
0020636199
-
Dermatan sulfate: Molecular conformations and interactions in the condensed state
-
Mitra, A.K., Arnott, S., Atkins E.D.T. and Isaac, D.H. (1983b) Dermatan sulfate: molecular conformations and interactions in the condensed state. J. Mol. Biol. 169, 873-901.
-
(1983)
J. Mol. Biol.
, vol.169
, pp. 873-901
-
-
Mitra, A.K.1
Arnott, S.2
Atkins, E.D.T.3
Isaac, D.H.4
-
27
-
-
0000372661
-
Molecular vibrations and structure of high polymers. II. Helical parameters of infinite polymer chains as functions of bond lengths, bond angles and internal rotation angles
-
Miyazawa, T. (1961) Molecular vibrations and structure of high polymers. II. Helical parameters of infinite polymer chains as functions of bond lengths, bond angles and internal rotation angles. J. Polymer Sci., 55, 215-231.
-
(1961)
J. Polymer Sci.
, vol.55
, pp. 215-231
-
-
Miyazawa, T.1
-
28
-
-
0028763769
-
The effect of variation of substitution on the solution conformation of hepaurin: A spectroscopic and molecular modeling study
-
Mulloy, B., Forster, M.J., Jones, C., Drake, A.F., Johnson, E.A. and Davies, D.B. (1994) The effect of variation of substitution on the solution conformation of hepaurin: a spectroscopic and molecular modeling study. Carbohydr. Res., 255, 1-26.
-
(1994)
Carbohydr. Res.
, vol.255
, pp. 1-26
-
-
Mulloy, B.1
Forster, M.J.2
Jones, C.3
Drake, A.F.4
Johnson, E.A.5
Davies, D.B.6
-
29
-
-
0343871851
-
Connective tissue polysaccharides
-
Atkins, E.D.T. (ed.). Macmillan, Southampton, UK
-
Nieduszynski, I.A. (1985) Connective tissue polysaccharides. In Atkins, E.D.T. (ed.), Polysaccharides. Topics in Structure and Morphology. Macmillan, Southampton, UK, pp. 107-139.
-
(1985)
Polysaccharides. Topics in Structure and Morphology
, pp. 107-139
-
-
Nieduszynski, I.A.1
-
30
-
-
0029024317
-
FGF binding and FGF receptor activation by synthetic heparan-derived di- and trisaccharides
-
Ornitz, D.M., Herr, A.B., Nilsson, M., Westman, J., Svahn, C. and Waksman, G. (1995) FGF binding and FGF receptor activation by synthetic heparan-derived di- and trisaccharides. Science, 268, 432-436.
-
(1995)
Science
, vol.268
, pp. 432-436
-
-
Ornitz, D.M.1
Herr, A.B.2
Nilsson, M.3
Westman, J.4
Svahn, C.5
Waksman, G.6
-
31
-
-
84988141308
-
A force-field study of the conformational characteristics of the iduronate ring
-
Ragazzi, M., Ferro, D.R. and Provasoli, A. (1986) A force-field study of the conformational characteristics of the iduronate ring. J. Comp. Chem., 7, 105-112.
-
(1986)
J. Comp. Chem.
, vol.7
, pp. 105-112
-
-
Ragazzi, M.1
Ferro, D.R.2
Provasoli, A.3
-
32
-
-
0343436057
-
Molecular mechanics and the structure of iduronate constaining carbohydrates
-
French, A.D. and Brady, J.W. (eds.). American Chemical Society, Washington, DC
-
Ragazzi, M., Provasoli, A. and Ferro, D.R. (1990) Molecular mechanics and the structure of iduronate constaining carbohydrates. In French, A.D. and Brady, J.W. (eds.). Computer Modeling of Carbohydrate Molecules. Vol. 430. American Chemical Society, Washington, DC, pp. 332-344.
-
(1990)
Computer Modeling of Carbohydrate Molecules
, vol.430
, pp. 332-344
-
-
Ragazzi, M.1
Provasoli, A.2
Ferro, D.R.3
-
33
-
-
0029303249
-
Controversial iduronate ring conformation in dermatan sulfate
-
Rao, V.S.R., Balaji, P.V. and Qasba, P.K. (1995) Controversial iduronate ring conformation in dermatan sulfate. Glycobiology, 5, 273-279.
-
(1995)
Glycobiology
, vol.5
, pp. 273-279
-
-
Rao, V.S.R.1
Balaji, P.V.2
Qasba, P.K.3
-
34
-
-
0017884468
-
Periodate oxidation and the shapes of glycosaminoglycuronans in solution
-
Scott, J.E. and Tigwell, M.J. (1978) Periodate oxidation and the shapes of glycosaminoglycuronans in solution. Biochem. J., 173, 103-114.
-
(1978)
Biochem. J.
, vol.173
, pp. 103-114
-
-
Scott, J.E.1
Tigwell, M.J.2
-
35
-
-
84984088684
-
General method for calculating helical parameters of polymer chains from bond lengths, bond angles and internal-rotation angles
-
Sugeta, H. and Miyazawa, T. (1967) General method for calculating helical parameters of polymer chains from bond lengths, bond angles and internal-rotation angles. Biopolymers, 5, 673-679.
-
(1967)
Biopolymers
, vol.5
, pp. 673-679
-
-
Sugeta, H.1
Miyazawa, T.2
-
36
-
-
0030130810
-
The effect of hydration upon the conformation and dynamics of neocarrabiose, a repeat unit of β-carrageenan
-
Ueda, K. and Brady, J.W. (1996) The effect of hydration upon the conformation and dynamics of neocarrabiose, a repeat unit of β-carrageenan. Biopolymers, 38, 461-469.
-
(1996)
Biopolymers
, vol.38
, pp. 461-469
-
-
Ueda, K.1
Brady, J.W.2
-
37
-
-
84946450438
-
Algorithms for macromolecular dynamics and constraint dynamics
-
van Gunsteren, W.F. and Berendsen, H.J.C. (1977) Algorithms for macromolecular dynamics and constraint dynamics. Mol. Phys., 34, 1311-1327.
-
(1977)
Mol. Phys.
, vol.34
, pp. 1311-1327
-
-
Van Gunsteren, W.F.1
Berendsen, H.J.C.2
-
38
-
-
0028338957
-
A stereochemical approach to pyranose ring flexibility: Its implications for the conformation of dermatan sulfate
-
Venkataraman, G., Sasisekharan, V., Cooney, C.L., Langer, R. and Sasisekharan, R. (1994) A stereochemical approach to pyranose ring flexibility: its implications for the conformation of dermatan sulfate. Proc. Natl. Acad. Sci. USA, 91, 6171-6175.
-
(1994)
Proc. Natl. Acad. Sci. USA
, vol.91
, pp. 6171-6175
-
-
Venkataraman, G.1
Sasisekharan, V.2
Cooney, C.L.3
Langer, R.4
Sasisekharan, R.5
-
39
-
-
22944467757
-
Computer experiments on classical fluids. I. Thermodynamical properties of lennard-jones molecules
-
Verlet, L. (1967) Computer experiments on classical fluids. I. Thermodynamical properties of lennard-jones molecules. Phys. Rev., 159, 98-103.
-
(1967)
Phys. Rev.
, vol.159
, pp. 98-103
-
-
Verlet, L.1
|