-
2
-
-
0031078989
-
Conformational free energy of lattice polyelectrolytes with fixed endpoints. I. Single-chain simulation and theory
-
Barenbrug T. M. A. O. M., Smit J. A. M., Bedeaux D. Conformational free energy of lattice polyelectrolytes with fixed endpoints. I. Single-chain simulation and theory. Macromolecules. 30:1997;605.
-
(1997)
Macromolecules
, vol.30
, pp. 605
-
-
Barenbrug, T.M.A.O.M.1
Smit, J.A.M.2
Bedeaux, D.3
-
3
-
-
84986452939
-
The fast multipole boundary element method for molecular electrostatics: An optimal approach for large systems
-
Bharadwaj R., Windemuth A., Sridharan S., Honig B., Nicholls A. The fast multipole boundary element method for molecular electrostatics: An optimal approach for large systems. J. Comput. Chem. 16:1995;898.
-
(1995)
J. Comput. Chem.
, vol.16
, pp. 898
-
-
Bharadwaj, R.1
Windemuth, A.2
Sridharan, S.3
Honig, B.4
Nicholls, A.5
-
4
-
-
0030941120
-
How hormone receptor-DNA binding affects nucleosomal DNA: The role of symmetry
-
Bishop T. C., Kosztin D., Schulten K. How hormone receptor-DNA binding affects nucleosomal DNA: The role of symmetry. Biophys. J. 72:1997;2056.
-
(1997)
Biophys. J.
, vol.72
, pp. 2056
-
-
Bishop, T.C.1
Kosztin, D.2
Schulten, K.3
-
5
-
-
0000316648
-
Difficulties with multiple time stepping and fast multipole algorithm in molecular dynamics
-
Bishop T. C., Skeel R. D., Schulten K. Difficulties with multiple time stepping and fast multipole algorithm in molecular dynamics. J. Comput. Chem. 18:1997;1785.
-
(1997)
J. Comput. Chem.
, vol.18
, pp. 1785
-
-
Bishop, T.C.1
Skeel, R.D.2
Schulten, K.3
-
6
-
-
5544323152
-
Accelerated molecular dynamics simulation with the parallel fast multipole algorithm
-
Board J. A. Jr., Causey J. W., Leathrum J. F. Jr., Windemuth A., Shulten K. Accelerated molecular dynamics simulation with the parallel fast multipole algorithm. Chem. Phys. Lett. 198:1992;89.
-
(1992)
Chem. Phys. Lett.
, vol.198
, pp. 89
-
-
Board J.A., Jr.1
Causey, J.W.2
Leathrum J.F., Jr.3
Windemuth, A.4
Shulten, K.5
-
7
-
-
0039436216
-
Screening in short polyelectrolyte chains: A Monte Carlo study
-
Brender C., Danino M. Screening in short polyelectrolyte chains: A Monte Carlo study. J. Phys. Chem. 100:1996;17563.
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 17563
-
-
Brender, C.1
Danino, M.2
-
8
-
-
0001149944
-
Periodic boundary conditions and the fast multipole method
-
Challacombe M., White C., Head-Gordon M. Periodic boundary conditions and the fast multipole method. J. Chem. Phys. 107:1997;10131.
-
(1997)
J. Chem. Phys.
, vol.107
, pp. 10131
-
-
Challacombe, M.1
White, C.2
Head-Gordon, M.3
-
9
-
-
0029170114
-
Molecular dynamics simulations on solvated biomolecular systems: The particle mesh Ewald method leads to stable trajectories of DNA, RNA, and proteins
-
Cheatham T. E. II, Miller J. L., Fox T., Darden T. A., Kollman P. A. Molecular dynamics simulations on solvated biomolecular systems: The particle mesh Ewald method leads to stable trajectories of DNA, RNA, and proteins. J. Am. Chem. Soc. 117:1995;4193.
-
(1995)
J. Am. Chem. Soc.
, vol.117
, pp. 4193
-
-
Cheatham T.E. II1
Miller, J.L.2
Fox, T.3
Darden, T.A.4
Kollman, P.A.5
-
11
-
-
0001489032
-
Computer simulations of polyelectrolyte chains in salt solution
-
Christos G. A., Carnie S. L. Computer simulations of polyelectrolyte chains in salt solution. J. Chem. Phys. 92:1990;7661.
-
(1990)
J. Chem. Phys.
, vol.92
, pp. 7661
-
-
Christos, G.A.1
Carnie, S.L.2
-
12
-
-
33846823909
-
Particle mesh Ewald: An Nlog(N) method for Ewald sums in large systems
-
Darden T., York D., Pedersen L. Particle mesh Ewald: An Nlog(N) method for Ewald sums in large systems. J. Chem. Phys. 98:1993;10089.
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 10089
-
-
Darden, T.1
York, D.2
Pedersen, L.3
-
13
-
-
0031555013
-
Comparison of hard-cylinder and screened coulomb interactions in the modeling of supercoiled DNAs
-
Delrow J. J., Gebe J. A., Schurr J. M. Comparison of hard-cylinder and screened coulomb interactions in the modeling of supercoiled DNAs. Biopolymers. 42:1997;455.
-
(1997)
Biopolymers
, vol.42
, pp. 455
-
-
Delrow, J.J.1
Gebe, J.A.2
Schurr, J.M.3
-
14
-
-
22244433235
-
How to mesh up Ewald sum. I. A theoretical and numerical comparison of various particle-mesh routines
-
Deserno M., Holm C. How to mesh up Ewald sum. I. A theoretical and numerical comparison of various particle-mesh routines. J. Chem. Phys. 109:1998;7678.
-
(1998)
J. Chem. Phys.
, vol.109
, pp. 7678
-
-
Deserno, M.1
Holm, C.2
-
15
-
-
5244247401
-
Atomic level simulations on a million particles: The cell multipole method for Coulomb and London nonbond interactions
-
Ding H.-Q., Karasawa N., Goddard W. A. III. Atomic level simulations on a million particles: The cell multipole method for Coulomb and London nonbond interactions. J. Chem. Phys. 97:1992;4309.
-
(1992)
J. Chem. Phys.
, vol.97
, pp. 4309
-
-
Ding, H.-Q.1
Karasawa, N.2
Goddard W.A. III3
-
17
-
-
0001698339
-
Multipole translation theory for the three-dimensional Laplace and Helmholtz equations
-
Epton M. A., Dembart B. Multipole translation theory for the three-dimensional Laplace and Helmholtz equations. SIAM J. Sci. Comput. 16:1995;865.
-
(1995)
SIAM J. Sci. Comput.
, vol.16
, pp. 865
-
-
Epton, M.A.1
Dembart, B.2
-
18
-
-
33645961739
-
A smooth particle mesh Ewald method
-
Essmann U., Perera L., Berkowitz M. L., Darden T., Lee H., Pedersen L. G. A smooth particle mesh Ewald method. J. Chem. Phys. 103:1995;8577.
-
(1995)
J. Chem. Phys.
, vol.103
, pp. 8577
-
-
Essmann, U.1
Perera, L.2
Berkowitz, M.L.3
Darden, T.4
Lee, H.5
Pedersen, L.G.6
-
19
-
-
36449009536
-
Thermodynamics of strongly-coupled Yukawa systems near the one-component-plasma limit. II. Molecular dynamics simulations
-
Farouki R. T., Hamaguchi S. Thermodynamics of strongly-coupled Yukawa systems near the one-component-plasma limit. II. Molecular dynamics simulations. J. Chem. Phys. 101:1994;9885.
-
(1994)
J. Chem. Phys.
, vol.101
, pp. 9885
-
-
Farouki, R.T.1
Hamaguchi, S.2
-
20
-
-
0343881269
-
Fast adaptive multipole method for computation of electrostatic energy in simulations of polylectrolyte DNA
-
Fenley M. O., Olson W. K., Chua K., Boschitsch A. H. Fast adaptive multipole method for computation of electrostatic energy in simulations of polylectrolyte DNA. J. Comput. Chem. 17:1996;976.
-
(1996)
J. Comput. Chem.
, vol.17
, pp. 976
-
-
Fenley, M.O.1
Olson, W.K.2
Chua, K.3
Boschitsch, A.H.4
-
22
-
-
0031168817
-
Large scale simulation of macromolecules in solution: Combining the periodic fast multipole method with multiple time step integrators
-
Figueirido F., Levy R. M., Zhou R., Berne B. J. Large scale simulation of macromolecules in solution: Combining the periodic fast multipole method with multiple time step integrators. J. Chem. Phys. 106:1997;9835.
-
(1997)
J. Chem. Phys.
, vol.106
, pp. 9835
-
-
Figueirido, F.1
Levy, R.M.2
Zhou, R.3
Berne, B.J.4
-
23
-
-
0000396658
-
A fast algorithm for particle simulations
-
Greengard L., Rokhlin V. A fast algorithm for particle simulations. J. Comput. Phys. 73:1987;325.
-
(1987)
J. Comput. Phys.
, vol.73
, pp. 325
-
-
Greengard, L.1
Rokhlin, V.2
-
24
-
-
0001257361
-
On the evaluation of electrostatic interactions in molecular modeling
-
Greengard L., Rokhlin V. On the evaluation of electrostatic interactions in molecular modeling. Chem. Scripta. 29A:1989;139.
-
(1989)
Chem. Scripta
, vol.29
, pp. 139
-
-
Greengard, L.1
Rokhlin, V.2
-
25
-
-
85011484616
-
A new version of the fast multipole method for the Laplace equation in three dimensions
-
Greengard L., Rokhlin V. A new version of the fast multipole method for the Laplace equation in three dimensions. Acta Numer. 229:1997.
-
(1997)
Acta Numer.
, vol.229
-
-
Greengard, L.1
Rokhlin, V.2
-
28
-
-
0030288077
-
Phase diagram of Yukawa systems near one-component-plasma limit revisited
-
Hamaguchi S., Farouki R. T., Dubin D. H. E. Phase diagram of Yukawa systems near one-component-plasma limit revisited. J. Chem. Phys. 105:1996;7641.
-
(1996)
J. Chem. Phys.
, vol.105
, pp. 7641
-
-
Hamaguchi, S.1
Farouki, R.T.2
Dubin, D.H.E.3
-
29
-
-
0012466140
-
Monte Carlo simulations of hydrophobic polyelectrolytes: Evidence for a structural transition in response to increasing chain ionization
-
Hooper H. H., Beltran S., Sassi A. P., Blanch H. W., Prausnitz J. M. Monte Carlo simulations of hydrophobic polyelectrolytes: Evidence for a structural transition in response to increasing chain ionization. J. Chem. Phys. 93:1990;2715.
-
(1990)
J. Chem. Phys.
, vol.93
, pp. 2715
-
-
Hooper, H.H.1
Beltran, S.2
Sassi, A.P.3
Blanch, H.W.4
Prausnitz, J.M.5
-
30
-
-
0032203448
-
An improved fast multipole algorithm for potential fields
-
Hrycak T., Rokhlin V. An improved fast multipole algorithm for potential fields. SIAM J. Sci. Comput. 19:1998;1804.
-
(1998)
SIAM J. Sci. Comput.
, vol.19
, pp. 1804
-
-
Hrycak, T.1
Rokhlin, V.2
-
31
-
-
0031834850
-
Importance of explicit salt ions for protein stability in molecular dynamics simulation
-
Ibragimova G. T., Wade R. C. Importance of explicit salt ions for protein stability in molecular dynamics simulation. Biophys. J. 74:1998;2906.
-
(1998)
Biophys. J.
, vol.74
, pp. 2906
-
-
Ibragimova, G.T.1
Wade, R.C.2
-
32
-
-
0002334742
-
The electric potential of a macromolecule in a solvent: A fundamental approach
-
Juffer A. H., Botta E. F. F., Keulen B. A. M. v., Ploeg A. v. d., Berendsen H. J. C. The electric potential of a macromolecule in a solvent: A fundamental approach. J. Comput. Phys. 97:1991;144.
-
(1991)
J. Comput. Phys.
, vol.97
, pp. 144
-
-
Juffer, A.H.1
Botta, E.F.F.2
Keulen, B.A.M.V.3
Ploeg, A.V.D.4
Berendsen, H.J.C.5
-
33
-
-
7044232626
-
Phase diagram of Yukawa systems: Model for charge-stabilized colloids
-
Kremer K., Robbins M. O., Grest G. S. Phase diagram of Yukawa systems: Model for charge-stabilized colloids. Phys. Rev. Lett. 57:1986;2694.
-
(1986)
Phys. Rev. Lett.
, vol.57
, pp. 2694
-
-
Kremer, K.1
Robbins, M.O.2
Grest, G.S.3
-
34
-
-
0030819133
-
Computation of molecular electrostatics with boundary elements methods
-
Liang J., Subramaniam S. Computation of molecular electrostatics with boundary elements methods. Biophys. J. 73:1997;1830.
-
(1997)
Biophys. J.
, vol.73
, pp. 1830
-
-
Liang, J.1
Subramaniam, S.2
-
35
-
-
0001546375
-
Molecular dynamics for very large systems on massively parallel computers: The MPSim program
-
Lim K.-T., Brunett S., Iotov M., McClurg R. B., Vaidhi N., Dasgupta S., Taylor S., Goddard W. A. III. Molecular dynamics for very large systems on massively parallel computers: The MPSim program. J. Comput. Chem. 18:1997;501.
-
(1997)
J. Comput. Chem.
, vol.18
, pp. 501
-
-
Lim, K.-T.1
Brunett, S.2
Iotov, M.3
McClurg, R.B.4
Vaidhi, N.5
Dasgupta, S.6
Taylor, S.7
Goddard W.A. III8
-
36
-
-
0042300388
-
The fast multipole method in canonical ensemble dynamics on massively parallel computers
-
Lustig S. R., Cristy J. J., Pensak D. A. The fast multipole method in canonical ensemble dynamics on massively parallel computers. Mat. Res. Soc. Symp. Proc. 278:1992;9.
-
(1992)
Mat. Res. Soc. Symp. Proc.
, vol.278
, pp. 9
-
-
Lustig, S.R.1
Cristy, J.J.2
Pensak, D.A.3
-
37
-
-
0002997010
-
A comparison of particle-particle, particle-mesh, and Ewald methods for calculating electrostatic interactions in periodic molecular systems
-
Luty B. A., Davis M. E., Tironi I. G., van Gunsteren W. F. A comparison of particle-particle, particle-mesh, and Ewald methods for calculating electrostatic interactions in periodic molecular systems. Mol. Simul. 14:1994;11.
-
(1994)
Mol. Simul.
, vol.14
, pp. 11
-
-
Luty, B.A.1
Davis, M.E.2
Tironi, I.G.3
Van Gunsteren, W.F.4
-
38
-
-
0001490366
-
Calculating electrostatic interactions using the particle-particle-particle-mesh method with nonperiodic long-range interactions
-
Luty B. A., van Gunsteren W. F. Calculating electrostatic interactions using the particle-particle-particle-mesh method with nonperiodic long-range interactions. J. Phys. Chem. 100:1996;2581.
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 2581
-
-
Luty, B.A.1
Van Gunsteren, W.F.2
-
39
-
-
0028063256
-
Protein simulations using techniques suitable for very large systems: The cell multipole method for nonbond interactions and the Newton-Euler inverse mass operator method for internal coordinate dynamics
-
Mathiowetz A. M., Jain A., Karasawa N., Goddard W. A. III. Protein simulations using techniques suitable for very large systems: The cell multipole method for nonbond interactions and the Newton-Euler inverse mass operator method for internal coordinate dynamics. Proteins Struct. Funct, Genet. 20:1994;227.
-
(1994)
Proteins Struct. Funct, Genet.
, vol.20
, pp. 227
-
-
Mathiowetz, A.M.1
Jain, A.2
Karasawa, N.3
Goddard W.A. III4
-
40
-
-
0031880930
-
Looping dynamics of linear DNA molecules and the effect of DNA curvature: A study by Brownian dynamics simulation
-
Merlitz H., Rippe K., Klenin K. V., Langowski J. Looping dynamics of linear DNA molecules and the effect of DNA curvature: A study by Brownian dynamics simulation. Biophys. J. 74:1998;773.
-
(1998)
Biophys. J.
, vol.74
, pp. 773
-
-
Merlitz, H.1
Rippe, K.2
Klenin, K.V.3
Langowski, J.4
-
43
-
-
0030172529
-
Comments on P3M, FMM, and the Ewald method for large periodic Coulombic systems
-
Pollock E. L., Glosli J. Comments on P3M, FMM, and the Ewald method for large periodic Coulombic systems. Comput. Phys. Commun. 95:1996;93.
-
(1996)
Comput. Phys. Commun.
, vol.95
, pp. 93
-
-
Pollock, E.L.1
Glosli, J.2
-
44
-
-
0005652597
-
Fast summation boundary element method for calculating solvation free energies of macromolecules
-
Purisima E. O. Fast summation boundary element method for calculating solvation free energies of macromolecules. J. Comput. Chem. 19:1998;1494.
-
(1998)
J. Comput. Chem.
, vol.19
, pp. 1494
-
-
Purisima, E.O.1
-
46
-
-
0043225410
-
Monte Carlo study of light scattering by linear polyelectrolytes
-
Reed C. E., Reed W. F. Monte Carlo study of light scattering by linear polyelectrolytes. J. Chem. Phys. 97:1992;7766.
-
(1992)
J. Chem. Phys.
, vol.97
, pp. 7766
-
-
Reed, C.E.1
Reed, W.F.2
-
47
-
-
0027851427
-
Diagonal forms of translation operators for the Helmholtz equation in three dimensions
-
Rokhlin V. Diagonal forms of translation operators for the Helmholtz equation in three dimensions. Appl. Comput. Harmon. Anal. 1:1993;82.
-
(1993)
Appl. Comput. Harmon. Anal.
, vol.1
, pp. 82
-
-
Rokhlin, V.1
-
51
-
-
0027961109
-
The influence of salt on the structure and energetics of supercoiled DNA
-
Schlick T., Li B., Olson W. K. The influence of salt on the structure and energetics of supercoiled DNA. Biophys. J. 67:1994;2146.
-
(1994)
Biophys. J.
, vol.67
, pp. 2146
-
-
Schlick, T.1
Li, B.2
Olson, W.K.3
-
52
-
-
0026644556
-
Trefoil knotting revealed by molecular dynamics simulations of supercoiled DNA
-
Schlick T., Olson W. K. Trefoil knotting revealed by molecular dynamics simulations of supercoiled DNA. Science. 257:1992;1110.
-
(1992)
Science
, vol.257
, pp. 1110
-
-
Schlick, T.1
Olson, W.K.2
-
53
-
-
34249919671
-
Implementing the fast multipole method in three dimensions
-
Schmidt K. E., Lee M. A. Implementing the fast multipole method in three dimensions. J. Stat. Phys. 63:1991;1223.
-
(1991)
J. Stat. Phys.
, vol.63
, pp. 1223
-
-
Schmidt, K.E.1
Lee, M.A.2
-
55
-
-
84986518948
-
Performance of fast multipole methods for calculating electrostatic interactions in biomacromolecular simulations
-
Shimada J., Kaneko H., Takada T. Performance of fast multipole methods for calculating electrostatic interactions in biomacromolecular simulations. J. Comput. Chem. 15:1994;28.
-
(1994)
J. Comput. Chem.
, vol.15
, pp. 28
-
-
Shimada, J.1
Kaneko, H.2
Takada, T.3
-
56
-
-
0032213753
-
Inherent DNA curvature and flexibility correlate with TATA box functionality
-
de Souza O. N., Ornstein R. L. Inherent DNA curvature and flexibility correlate with TATA box functionality. Biopolymers. 46:1998;403.
-
(1998)
Biopolymers
, vol.46
, pp. 403
-
-
De Souza, O.N.1
Ornstein, R.L.2
-
57
-
-
5244227747
-
On the mean spherical approximation (MSA) for colloidal systems. A comparison with results from Monte Carlo simulations
-
Svensson B., Jönsson B. On the mean spherical approximation (MSA) for colloidal systems. A comparison with results from Monte Carlo simulations. Mol. Phys. 50:1983;489.
-
(1983)
Mol. Phys.
, vol.50
, pp. 489
-
-
Svensson, B.1
Jönsson, B.2
-
58
-
-
0000464784
-
Knotting and supercoiling in circular DNA: A model incorporating the effect of added salt
-
Tesi M. C., Janse van Rensburg E. J., Orlandini E., Sumners D. W., Whittington G. S. Knotting and supercoiling in circular DNA: A model incorporating the effect of added salt. Phys. Rev. E. 49:1994;868.
-
(1994)
Phys. Rev. e
, vol.49
, pp. 868
-
-
Tesi, M.C.1
Janse Van Rensburg, E.J.2
Orlandini, E.3
Sumners, D.W.4
Whittington, G.S.5
-
60
-
-
0030163950
-
Ewald summation techniques in perspective: A survey
-
Toukmaji A. Y., Board J. A. J. Ewald summation techniques in perspective: A survey. Comput. Phys. Commun. 95:1996;73.
-
(1996)
Comput. Phys. Commun.
, vol.95
, pp. 73
-
-
Toukmaji, A.Y.1
Board, J.A.J.2
-
61
-
-
0001146345
-
A Monte Carlo study of titrating polyelectrolytes
-
Ullner M., Jönsson B. A Monte Carlo study of titrating polyelectrolytes. J. Chem. Phys. 104:1996;3048.
-
(1996)
J. Chem. Phys.
, vol.104
, pp. 3048
-
-
Ullner, M.1
Jönsson, B.2
-
62
-
-
0031185629
-
The electrostatic persistence length calculated from Monte Carlo, variational and pertubation methods
-
Ullner M., Jönsson B., Peterson C., Sommelius O., Söderberg B. The electrostatic persistence length calculated from Monte Carlo, variational and pertubation methods. J. Chem. Phys. 107:1997;1279.
-
(1997)
J. Chem. Phys.
, vol.107
, pp. 1279
-
-
Ullner, M.1
Jönsson, B.2
Peterson, C.3
Sommelius, O.4
Söderberg, B.5
-
63
-
-
0001505397
-
Structure and thermodynamics of the screened Coulomb liquid
-
Vlachy V., Pohar C., Haymet A. D. J. Structure and thermodynamics of the screened Coulomb liquid. J. Chem. Phys. 88:1988;2066.
-
(1988)
J. Chem. Phys.
, vol.88
, pp. 2066
-
-
Vlachy, V.1
Pohar, C.2
Haymet, A.D.J.3
-
64
-
-
0029159251
-
Modeling of long-range electrostatic interactions in DNA
-
Vologodskii A., Cozzarelli N. Modeling of long-range electrostatic interactions in DNA. Biopolymers. 35:1995;289.
-
(1995)
Biopolymers
, vol.35
, pp. 289
-
-
Vologodskii, A.1
Cozzarelli, N.2
-
65
-
-
0032142515
-
Tuning the density profile of dendritic polyelectrolytes
-
Welch P., Muthukumar M. Tuning the density profile of dendritic polyelectrolytes. Macromolecules. 31:1998;5892.
-
(1998)
Macromolecules
, vol.31
, pp. 5892
-
-
Welch, P.1
Muthukumar, M.2
-
66
-
-
36449006535
-
Derivation and efficient implementation of the fast multipole method
-
White C. A., Head-Gordon M. Derivation and efficient implementation of the fast multipole method. J. Chem. Phys. 101:1994;6593.
-
(1994)
J. Chem. Phys.
, vol.101
, pp. 6593
-
-
White, C.A.1
Head-Gordon, M.2
-
67
-
-
0030595228
-
Computer simulation of ion migration in ionic micellar systems
-
Wojcik M. Computer simulation of ion migration in ionic micellar systems. Chem. Phys. Lett. 260:1996;287.
-
(1996)
Chem. Phys. Lett.
, vol.260
, pp. 287
-
-
Wojcik, M.1
-
68
-
-
84962478456
-
A boundary element method for molecular electrostatics with electrolyte effects
-
Yoon B. J., Lenhoff A. M. A boundary element method for molecular electrostatics with electrolyte effects. J. Comput. Chem. 11:1990;1080.
-
(1990)
J. Comput. Chem.
, vol.11
, pp. 1080
-
-
Yoon, B.J.1
Lenhoff, A.M.2
-
69
-
-
0032575760
-
Molecular dynamics simulations of oligonucleotide duplex with adenine tracts phased by a full helix turn
-
Young M. A., Beveridge D. L. Molecular dynamics simulations of oligonucleotide duplex with adenine tracts phased by a full helix turn. J. Mol. Biol. 281:1998;675.
-
(1998)
J. Mol. Biol.
, vol.281
, pp. 675
-
-
Young, M.A.1
Beveridge, D.L.2
-
70
-
-
84962420696
-
A fast and space efficient boundary element method for computing electrostatic and hydration effects in large molecules
-
Zauhar R. J., Varnek A. A fast and space efficient boundary element method for computing electrostatic and hydration effects in large molecules. J. Comput. Chem. 17:1996;864.
-
(1996)
J. Comput. Chem.
, vol.17
, pp. 864
-
-
Zauhar, R.J.1
Varnek, A.2
|