-
1
-
-
84996082931
-
A revisit to the threedimensional structure of B-type starch
-
Imberty, A., and Ferez, S. A revisit to the threedimensional structure of B-type starch. Biopolyiners 1988, 27, 1205-1221
-
(1988)
Biopolyiners
, vol.27
, pp. 1205-1221
-
-
Imberty, A.1
Ferez, S.2
-
2
-
-
0031371171
-
Graphical visualization of mean hydration from molecular dynamics simulations
-
Pitera, J., and Kollman, P.A. Graphical visualization of mean hydration from molecular dynamics simulations. J. Mol. Graphics Modelling 1997, 15, 355-358
-
(1997)
J. Mol. Graphics Modelling
, vol.15
, pp. 355-358
-
-
Pitera, J.1
Kollman, P.A.2
-
3
-
-
51149211502
-
Improved simulation of liquid water by molecular dynamics
-
Stillinger, F.H., and Rahman, A. Improved simulation of liquid water by molecular dynamics. J. Chem. Phys. 1974, 60, 1545-1557
-
(1974)
J. Chem. Phys.
, vol.60
, pp. 1545-1557
-
-
Stillinger, F.H.1
Rahman, A.2
-
4
-
-
0003525155
-
-
Wiley-Interscience, New York
-
Brooks, C.L., Karplus, M., and Pettitt, B.M. Proteins: A Theoretical Perspective of Dynamics, Structure and Thermodynamics. Wiley-Interscience, New York, 1988
-
(1988)
Proteins: A Theoretical Perspective of Dynamics, Structure and Thermodynamics.
-
-
Brooks, C.L.1
Karplus, M.2
Pettitt, B.M.3
-
5
-
-
33845183280
-
Molecular dynamics simulations of α-oglucose in aqueous solution
-
Brady, J.W. Molecular dynamics simulations of α-oglucose in aqueous solution. J. Am. Chem. Soc. 1989, 111,5155-5165
-
(1989)
J. Am. Chem. Soc.
, vol.111
, pp. 5155-5165
-
-
Brady, J.W.1
-
6
-
-
0000401432
-
Molecular-dynamics simulations of β-D-ribose and β-D-deoxyribose solutions. 7
-
van Eijck, B.P., and Kroon, J. Molecular-dynamics simulations of β-D-ribose and β-D-deoxyribose solutions. 7. Mol. Struct. 1989, 195, 133-146
-
(1989)
Mol. Struct.
, vol.195
, pp. 133-146
-
-
Van Eijck, B.P.1
Kroon, J.2
-
8
-
-
0018456521
-
Solvation. A molecular dynamics study of a dipeptide in water
-
Rossky, P.J., and Karplus, M. Solvation. A molecular dynamics study of a dipeptide in water. J. Am. Chem. Soc. 1979, 101, 1913-1937
-
(1979)
J. Am. Chem. Soc.
, vol.101
, pp. 1913-1937
-
-
Rossky, P.J.1
Karplus, M.2
-
9
-
-
0030475396
-
Anisotropie solvent structuring in aqueous sugar solutions
-
Brady, J.W., and Liu, Q. Anisotropie solvent structuring in aqueous sugar solutions. J. Am. Client. Soc. 1996,118, 12276-12286
-
(1996)
J. Am. Client. Soc.
, vol.118
, pp. 12276-12286
-
-
Brady, J.W.1
Liu, Q.2
-
10
-
-
84973499144
-
The conformation of sucrose in water: A molecular dynamics approach
-
Immel, S., and Lichtenthaler, F.W. The conformation of sucrose in water: a molecular dynamics approach. Liebigs Annalen 1995, 1925-1937
-
(1995)
Liebigs Annalen
, pp. 1925-1937
-
-
Immel, S.1
Lichtenthaler, F.W.2
-
11
-
-
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. CHARMm: A program for macromolecular energy, minimization and dynamics calculations. J. Coinpnt. Chem. 1983, 4, 187-217
-
(1983)
J. Coinpnt. 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
-
12
-
-
0024288712
-
A revised potential-energy surface for molecular mechanics of carbohydrates
-
ISO
-
Ha, S.N., Giammona, A., Field, M., and Brady, J.W. A revised potential-energy surface for molecular mechanics of carbohydrates. J. Comput. Chem. 1988, ISO, 207-221
-
(1988)
J. Comput. Chem.
, pp. 207-221
-
-
Ha, S.N.1
Giammona, A.2
Field, M.3
Brady, J.W.4
-
13
-
-
33645858780
-
Transferable intermolecular potential functions for water, alcohols, and ethers. Application to liquid water
-
Jorgensen, W.L. Transferable intermolecular potential functions for water, alcohols, and ethers. Application to liquid water. J. Am. Chem. Soc. 1981, 103, 335-340
-
(1981)
J. Am. Chem. Soc.
, vol.103
, pp. 335-340
-
-
Jorgensen, W.L.1
-
14
-
-
1842384715
-
Molecular relaxation of sucrose in aqueous solution: How a nanosecond molecular dynamics simulation helps to reconcile NMR data
-
Engelsen, S.B., Hervé du Penhoat, C., and Ferez, S. Molecular relaxation of sucrose in aqueous solution: how a nanosecond molecular dynamics simulation helps to reconcile NMR data. J. Phys. Chem. 1995, 99, 13334-13351
-
(1995)
J. Phys. Chem.
, vol.99
, pp. 13334-13351
-
-
Engelsen, S.B.1
Hervé Du Penhoat, C.2
Ferez, S.3
-
15
-
-
0343811731
-
Internal motions and hydration of sucrose in a diluted water solution
-
Engelsen, S.B., and Ferez, S. Internal motions and hydration of sucrose in a diluted water solution. J. Mol. Graphics Modelling 1997, 15, 122-131
-
(1997)
J. Mol. Graphics Modelling
, vol.15
, pp. 122-131
-
-
Engelsen, S.B.1
Ferez, S.2
-
16
-
-
28444479964
-
Stereochemical aspects of hydration of carbohydrates in aqueous solutions. 3. Density and ultrasound measurements
-
Galema, S.A., and Holland, H. Stereochemical aspects of hydration of carbohydrates in aqueous solutions. 3. Density and ultrasound measurements. J. Phys. Chem. 1991, 95, 5321-5326
-
(1991)
J. Phys. Chem.
, vol.95
, pp. 5321-5326
-
-
Galema, S.A.1
Holland, H.2
-
17
-
-
0028834628
-
NMR, molecular modeling, and crystallographic studies of lentil lectin-sucrose interaction
-
Casset, F., Hamelryck, T., Loris, R., Brisson, J.R., Tellier, C., Dao-Thi, M.-H., Wyns, L., Portemans, F., Ferez, S., and Imberty, A. NMR, molecular modeling, and crystallographic studies of lentil lectin-sucrose interaction. J. Biol. Chem. 1995, 270, 25619-25628
-
(1995)
J. Biol. Chem.
, vol.270
, pp. 25619-25628
-
-
Casset, F.1
Hamelryck, T.2
Loris, R.3
Brisson, J.R.4
Tellier, C.5
Dao-Thi, M.-H.6
Wyns, L.7
Portemans, F.8
Ferez, S.9
Imberty, A.10
-
18
-
-
33749209578
-
A comparison and chemometric analysis of several molecular mechanics force fields and parameters sets applied to carbohydrates
-
Ferez, S., Imberty, A., Engelsen, S.B., Gruza, J., Mazeau, K., Jiménez-Barbero, J., Poveda, A., Espinoza, J.F., van Eijck, B.P., Johnson, G., French, A.D., Kouwijzer, M.L.C.E., Grootenhuis, P.D.J., Bernard!, A., Raimondi, L., Senderowitz, H., Durier, V., Vergoten, G., and Rasmussen, K. A comparison and chemometric analysis of several molecular mechanics force fields and parameters sets applied to carbohydrates. Carbohydr. Res. 1999
-
(1999)
Carbohydr. Res.
-
-
Ferez, S.1
Imberty, A.2
Engelsen, S.B.3
Gruza, J.4
Mazeau, K.5
Jiménez-Barbero, J.6
Poveda, A.7
Espinoza, J.F.8
Van Eijck, B.P.9
Johnson, G.10
French, A.D.11
Kouwijzer, M.L.12
Grootenhuis, P.D.J.13
Bernard, A.14
Raimondi, L.15
Senderowitz, H.16
Durier, V.17
Vergoten, G.18
Rasmussen, K.19
|