-
1
-
-
0000538815
-
Analytical molecular surface calculation
-
Connolly, M. Analytical molecular surface calculation. J. Appl. Cryst. 16 (1983), 548-558.
-
(1983)
J. Appl. Cryst.
, vol.16
, pp. 548-558
-
-
Connolly, M.1
-
2
-
-
0000709802
-
The inducible multipole solvation model: A new model for solvation effects on solute electrostatics
-
Davis, M. E. The inducible multipole solvation model: a new model for solvation effects on solute electrostatics. J. Chem. Phys. 100 (1994), 5149-5159.
-
(1994)
J. Chem. Phys.
, vol.100
, pp. 5149-5159
-
-
Davis, M.E.1
-
3
-
-
51249162203
-
The union of balls and its dual shape
-
Edelsbrunner, H. The union of balls and its dual shape. Discrete Comput. Geom. 13 (1995), 415-440.
-
(1995)
Discrete Comput. Geom.
, vol.13
, pp. 415-440
-
-
Edelsbrunner, H.1
-
4
-
-
0033482642
-
Deformable smooth surface design
-
Edelsbrunner, H. Deformable smooth surface design. Discrete Comput. Geom. 21 (1999), 87-115.
-
(1999)
Discrete Comput. Geom.
, vol.21
, pp. 87-115
-
-
Edelsbrunner, H.1
-
5
-
-
0025214884
-
Simulation of simplicity: A technique to cope with degenerate cases in geometric algorithms
-
Edelsbrunner, H., and Mücke, E. P. Simulation of simplicity: a technique to cope with degenerate cases in geometric algorithms. ACM Trans. Graphics 9 (1990), 66-104.
-
(1990)
ACM Trans. Graphics
, vol.9
, pp. 66-104
-
-
Edelsbrunner, H.1
Mücke, E.P.2
-
6
-
-
0022596727
-
Solvation energy in protein folding and binding
-
Eisenberg, D., and McLachlan, A. Solvation energy in protein folding and binding. Nature (London) 319 (1986), 199-203.
-
(1986)
Nature (London)
, vol.319
, pp. 199-203
-
-
Eisenberg, D.1
McLachlan, A.2
-
7
-
-
84913591509
-
Improved strategy in analytic surface calculation for molecular systems: Handling of singularities and computational efficiency
-
Eisenhaber, F., and Argos, P. Improved strategy in analytic surface calculation for molecular systems: handling of singularities and computational efficiency. J. Comput. Chem. 14 (1993), 1272-1280.
-
(1993)
J. Comput. Chem.
, vol.14
, pp. 1272-1280
-
-
Eisenhaber, F.1
Argos, P.2
-
8
-
-
0001528720
-
Exact and efficient analytical calculation of the accessible surface area and their gradient for macromolecules
-
Fraczkiewicz, R., and Braun, W. Exact and efficient analytical calculation of the accessible surface area and their gradient for macromolecules. J. Comput. Chem. 19 (1998), 319-333.
-
(1998)
J. Comput. Chem.
, vol.19
, pp. 319-333
-
-
Fraczkiewicz, R.1
Braun, W.2
-
9
-
-
0029970351
-
An efficient mean solvation force model for use in molecular dynamics simulations of proteins in aqueous solution
-
Fraternali, F., and Van Gunsteren, W. F. An efficient mean solvation force model for use in molecular dynamics simulations of proteins in aqueous solution. J. Mol. Biol. 256 (1996), 939-948.
-
(1996)
J. Mol. Biol.
, vol.256
, pp. 939-948
-
-
Fraternali, F.1
Van Gunsteren, W.F.2
-
10
-
-
0027432959
-
Surface-area included in energy refinement of proteins: A comparative study on atomic solvation parameters
-
Von Freyberg, B., Richmond, T. J., and Braun, W. Surface-area included in energy refinement of proteins: a comparative study on atomic solvation parameters. J. Mol. Biol. 233 (1993), 275-292.
-
(1993)
J. Mol. Biol.
, vol.233
, pp. 275-292
-
-
Von Freyberg, B.1
Richmond, T.J.2
Braun, W.3
-
11
-
-
0000280208
-
Exact calculation of the volume and surface area of fused hard sphere molecules with unequal atomic radii
-
Gibson, K., and Scheraga, H. Exact calculation of the volume and surface area of fused hard sphere molecules with unequal atomic radii. Molecular Phys. 62 (1987), 1247-1265.
-
(1987)
Molecular Phys.
, vol.62
, pp. 1247-1265
-
-
Gibson, K.1
Scheraga, H.2
-
12
-
-
84986531697
-
An improved algorithm for the analytical computation of solvent-excluded volume. The treatment of singularities in solvent accessible surface area and volume functions
-
Gogonea, V., and Osawa, E. An improved algorithm for the analytical computation of solvent-excluded volume. The treatment of singularities in solvent accessible surface area and volume functions. J. Comput. Chem. 7 (1995), 817-842.
-
(1995)
J. Comput. Chem.
, vol.7
, pp. 817-842
-
-
Gogonea, V.1
Osawa, E.2
-
13
-
-
0001308921
-
A rapid approximation to the solvent accessible surface areas of atoms
-
Hasel, W., Hendrikson, T. F., and Still, W. C. A rapid approximation to the solvent accessible surface areas of atoms. Tetrahed. Comput. Method. 1 (1988), 103-116.
-
(1988)
Tetrahed. Comput. Method.
, vol.1
, pp. 103-116
-
-
Hasel, W.1
Hendrikson, T.F.2
Still, W.C.3
-
14
-
-
0141956090
-
Generalized born model with a simple smoothing function
-
Im, W., Lee, M. S., and Brooks, C. L. Generalized born model with a simple smoothing function. J. Comput. Chem. 24 (2003), 1691-1702.
-
(2003)
J. Comput. Chem.
, vol.24
, pp. 1691-1702
-
-
Im, W.1
Lee, M.S.2
Brooks, C.L.3
-
15
-
-
0000410978
-
The area of intersection of n equal circular disks
-
Kratky, K. W. The area of intersection of n equal circular disks. J. Phys. A 11 (1978), 1017-1024.
-
(1978)
J. Phys. A
, vol.11
, pp. 1017-1024
-
-
Kratky, K.W.1
-
16
-
-
0015222647
-
The interpretation of protein structure: Estimation of static accessibility
-
Lee, B., and Richards, F. M. The interpretation of protein structure: estimation of static accessibility. J. Mol. Biol. 55 (1971), 379-400.
-
(1971)
J. Mol. Biol.
, vol.55
, pp. 379-400
-
-
Lee, B.1
Richards, F.M.2
-
17
-
-
84912079256
-
Rapid approximation to molecular surface area via the use of Boolean logic and lookup tables
-
LeGrand, S. M., and Merz, K. M. Rapid approximation to molecular surface area via the use of Boolean logic and lookup tables. J. Comput. Chem. 14 (1993), 349-352.
-
(1993)
J. Comput. Chem.
, vol.14
, pp. 349-352
-
-
LeGrand, S.M.1
Merz, K.M.2
-
18
-
-
0029633167
-
Potential-energy function and parameters for simulations of the molecular-dynamics of proteins and nucleic-acids in solution
-
Levitt, M., Hirshberg, M., Sharon, R., and Daggett, V. Potential-energy function and parameters for simulations of the molecular-dynamics of proteins and nucleic-acids in solution. Comput. Phys. Comm. 91 (1995), 215-231.
-
(1995)
Comput. Phys. Comm.
, vol.91
, pp. 215-231
-
-
Levitt, M.1
Hirshberg, M.2
Sharon, R.3
Daggett, V.4
-
19
-
-
0032190305
-
Analytical shape computation of macromolecules, I and II
-
Liang, J., Edelsbnmner, H., Fu, P., Sudhakar, R. V., and Subramaniam, S. Analytical shape computation of macromolecules, I and II. Proteins: Struct. Fund. Genet. 33 (1998), 1-17 and 18-29.
-
(1998)
Proteins: Struct. Fund. Genet.
, vol.33
, pp. 1-17
-
-
Liang, J.1
Edelsbnmner, H.2
Fu, P.3
Sudhakar, R.V.4
Subramaniam, S.5
-
20
-
-
84986462300
-
MSEED: A program for the rapid analytical determination of accessible surface-areas and their derivatives
-
Perrot, G., Cheng, B., Gibson, K. D., Vila, J., Palmer, K. A., Nayeem, A., Maigret, B., and Scheraga, H. A. MSEED: a program for the rapid analytical determination of accessible surface-areas and their derivatives. J. Comput. Chem. 13 (1992), 1-11.
-
(1992)
J. Comput. Chem.
, vol.13
, pp. 1-11
-
-
Perrot, G.1
Cheng, B.2
Gibson, K.D.3
Vila, J.4
Palmer, K.A.5
Nayeem, A.6
Maigret, B.7
Scheraga, H.A.8
-
21
-
-
0021755764
-
Solvent accessible surface area and excluded volume in proteins
-
Richmond, T. J. Solvent accessible surface area and excluded volume in proteins. J. Mol. Biol. 178 (1984), 63-89.
-
(1984)
J. Mol. Biol.
, vol.178
, pp. 63-89
-
-
Richmond, T.J.1
-
22
-
-
0012227656
-
A comprehensive analytical treatment of continuum electrostatics
-
Schaefer, M., and Karplus, M. A comprehensive analytical treatment of continuum electrostatics. J. Phys. Chem. 100 (1996), 1578-1599.
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 1578-1599
-
-
Schaefer, M.1
Karplus, M.2
-
23
-
-
0015866154
-
Environment and exposure to solvent of protein atoms in lyzozyme and insulin
-
Shrake, A., and Rupley, J. A. Environment and exposure to solvent of protein atoms in lyzozyme and insulin. J. Mol. Biol. 79 (1973), 351-371.
-
(1973)
J. Mol. Biol.
, vol.79
, pp. 351-371
-
-
Shrake, A.1
Rupley, J.A.2
-
24
-
-
0003996862
-
-
Addison-Wesley, Reading, Massachusetts
-
Spivak, M. Calculus on Manifolds. Addison-Wesley, Reading, Massachusetts, 1965.
-
(1965)
Calculus on Manifolds
-
-
Spivak, M.1
-
25
-
-
84986534141
-
A rapid method for calculating derivatives of solvent accessible surface areas of molecules
-
Sridharan, S., Nicholls, A., and Sharp, K. A. A rapid method for calculating derivatives of solvent accessible surface areas of molecules. J. Comput. Chem. 16 (1994), 1038-1044.
-
(1994)
J. Comput. Chem.
, vol.16
, pp. 1038-1044
-
-
Sridharan, S.1
Nicholls, A.2
Sharp, K.A.3
-
26
-
-
0344778061
-
Semi-analytical treatment of solvation for molecular mechanics and dynamics
-
Still, W. C., Tempczyk, A., Hawley, R. C., and Hendrickson, T. Semi-analytical treatment of solvation for molecular mechanics and dynamics. J. Amer. Chem. Soc. 112 (1990), 6127-6129.
-
(1990)
J. Amer. Chem. Soc.
, vol.112
, pp. 6127-6129
-
-
Still, W.C.1
Tempczyk, A.2
Hawley, R.C.3
Hendrickson, T.4
-
27
-
-
0031844416
-
Pairwise calculation of protein solvent-accessible surface areas
-
Street, A. G., and Mayo, S. L. Pairwise calculation of protein solvent-accessible surface areas. Folding Design 3 (1998), 253-258.
-
(1998)
Folding Design
, vol.3
, pp. 253-258
-
-
Street, A.G.1
Mayo, S.L.2
-
28
-
-
21344481461
-
Gradient discontinuities in calculations involving molecular surface area
-
Wawak, R. J., Gibson, K. D., and Scheraga, H. A. Gradient discontinuities in calculations involving molecular surface area. J. Math. Chem. 15 (1994), 207-232.
-
(1994)
J. Math. Chem.
, vol.15
, pp. 207-232
-
-
Wawak, R.J.1
Gibson, K.D.2
Scheraga, H.A.3
-
29
-
-
0027080909
-
Atomic solvation parameters applied to molecular dynamics of proteins in solution
-
Wesson, L., and Eisenberg, D. Atomic solvation parameters applied to molecular dynamics of proteins in solution. Protein Sci. 1 (1992), 227-235.
-
(1992)
Protein Sci.
, vol.1
, pp. 227-235
-
-
Wesson, L.1
Eisenberg, D.2
-
30
-
-
0001018540
-
Analytical approximation to the accessible surface area of proteins
-
Wodak, S. J., and Janin, J. Analytical approximation to the accessible surface area of proteins. Proc. Nat. Acad. Sci. U.S.A. 77 (1979), 1736-1740.
-
(1979)
Proc. Nat. Acad. Sci. U.S.A.
, vol.77
, pp. 1736-1740
-
-
Wodak, S.J.1
Janin, J.2
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