-
1
-
-
33645981305
-
Electrostatics calculations: latest methodological advances
-
Koehl P. Electrostatics calculations: latest methodological advances. Curr. Opin. Struct. Biol. 16 (2006) 142-151
-
(2006)
Curr. Opin. Struct. Biol.
, vol.16
, pp. 142-151
-
-
Koehl, P.1
-
2
-
-
0032233055
-
Computer simulations with explicit solvent: recent progress in the thermodynamic decomposition of free energies and in modeling electrostatic effects
-
Levy R.M., and Gallicchio E. Computer simulations with explicit solvent: recent progress in the thermodynamic decomposition of free energies and in modeling electrostatic effects. Annu. Rev. Phys. Chem. 49 (1998) 531-567
-
(1998)
Annu. Rev. Phys. Chem.
, vol.49
, pp. 531-567
-
-
Levy, R.M.1
Gallicchio, E.2
-
3
-
-
0033024177
-
Molecular dynamics simulation of biomolecules: long-range electrostatic effects
-
Sagui C., and Darden T.A. Molecular dynamics simulation of biomolecules: long-range electrostatic effects. Annu. Rev. Biophys. Biomol. Struct. 28 (1999) 155-179
-
(1999)
Annu. Rev. Biophys. Biomol. Struct.
, vol.28
, pp. 155-179
-
-
Sagui, C.1
Darden, T.A.2
-
4
-
-
1942456697
-
Recent advances in the development and application of implicit solvent models in biomolecule simulations
-
Feig M., and Brooks III C.L. Recent advances in the development and application of implicit solvent models in biomolecule simulations. Curr. Opin. Struct. Biol. 14 (2004) 217-224
-
(2004)
Curr. Opin. Struct. Biol.
, vol.14
, pp. 217-224
-
-
Feig, M.1
Brooks III, C.L.2
-
5
-
-
17044392602
-
Improving implicit solvent simulations: a Poisson-centric view
-
Baker N.A. Improving implicit solvent simulations: a Poisson-centric view. Curr. Opin. Struct. Biol. 15 (2005) 137-143
-
(2005)
Curr. Opin. Struct. Biol.
, vol.15
, pp. 137-143
-
-
Baker, N.A.1
-
6
-
-
69549115030
-
-
A. Okur, C. Simmerling, Hybrid explicit/implicit solvation methods, in: D. Spellmeyer (Ed.), Annu. Rep. Comput. Chem., vol. 2, 2006 (Chapter 6)
-
-
-
-
7
-
-
9244224092
-
An efficient hybrid explicit/implicit solvent method for biomolecular simulations
-
Lee M.S., Salsbury Jr. F.R., and Olson M.A. An efficient hybrid explicit/implicit solvent method for biomolecular simulations. J. Comput. Chem. 25 (2004) 1967-1978
-
(2004)
J. Comput. Chem.
, vol.25
, pp. 1967-1978
-
-
Lee, M.S.1
Salsbury Jr., F.R.2
Olson, M.A.3
-
8
-
-
15744363770
-
Evaluation of Poisson solvation models using a hybrid explicit/implicit solvent method
-
Lee M.S., and Olson M.A. Evaluation of Poisson solvation models using a hybrid explicit/implicit solvent method. J. Phys. Chem. B 109 (2005) 5223-5236
-
(2005)
J. Phys. Chem. B
, vol.109
, pp. 5223-5236
-
-
Lee, M.S.1
Olson, M.A.2
-
9
-
-
20644431615
-
Theory of solutions of molecules containing widely separated charges with special applications to awitterions
-
Kirkwood J.G. Theory of solutions of molecules containing widely separated charges with special applications to awitterions. J. Chem. Phys. 2 (1934) 351-361
-
(1934)
J. Chem. Phys.
, vol.2
, pp. 351-361
-
-
Kirkwood, J.G.1
-
10
-
-
18044378064
-
Statistical mechanics of liquid solutions
-
Kirkwood J.G. Statistical mechanics of liquid solutions. Chem. Rev. 19 (1936) 275-307
-
(1936)
Chem. Rev.
, vol.19
, pp. 275-307
-
-
Kirkwood, J.G.1
-
11
-
-
84947145359
-
Image approximation to the reaction field
-
Friedman H.L. Image approximation to the reaction field. Mol. Phys. 29 (1975) 1533-1543
-
(1975)
Mol. Phys.
, vol.29
, pp. 1533-1543
-
-
Friedman, H.L.1
-
12
-
-
0027955787
-
Biased probability Monte Carlo conformational searches and electrostatic calculations for peptides and proteins
-
Abagyan R., and Totrov M. Biased probability Monte Carlo conformational searches and electrostatic calculations for peptides and proteins. J. Mol. Biol. 235 (1994) 983-1002
-
(1994)
J. Mol. Biol.
, vol.235
, pp. 983-1002
-
-
Abagyan, R.1
Totrov, M.2
-
13
-
-
33947099467
-
Extending the fast multipole method to charges inside or outside a dielectric sphere
-
Cai W., Deng S., and Jacobs D. Extending the fast multipole method to charges inside or outside a dielectric sphere. J. Comput. Phys. 223 (2007) 846-864
-
(2007)
J. Comput. Phys.
, vol.223
, pp. 846-864
-
-
Cai, W.1
Deng, S.2
Jacobs, D.3
-
14
-
-
0000396658
-
A fast algorithm for particle simulations
-
Greengard L., and Rokhlin V. A fast algorithm for particle simulations. J. Comput. Phys. 73 (1987) 325-348
-
(1987)
J. Comput. Phys.
, vol.73
, pp. 325-348
-
-
Greengard, L.1
Rokhlin, V.2
-
17
-
-
0011163110
-
On the implementation of Friedman boundary conditions in liquid water simulations
-
Wallqvist A. On the implementation of Friedman boundary conditions in liquid water simulations. Mol. Simul. 10 (1993) 13-17
-
(1993)
Mol. Simul.
, vol.10
, pp. 13-17
-
-
Wallqvist, A.1
-
18
-
-
0000988039
-
Reaction field molecular dynamics simulation with Friedman's image method
-
Wang L., and Hermans J. Reaction field molecular dynamics simulation with Friedman's image method. J. Phys. Chem. 99 (1995) 12001-12007
-
(1995)
J. Phys. Chem.
, vol.99
, pp. 12001-12007
-
-
Wang, L.1
Hermans, J.2
-
19
-
-
0001194914
-
Analysis of discrete and continuum dielectric models: application to the calculation of protonation energies in solution
-
Rullmann J.A.C., and Duijnen P.Th.V. Analysis of discrete and continuum dielectric models: application to the calculation of protonation energies in solution. Mol. Phys. 61 (1987) 293-311
-
(1987)
Mol. Phys.
, vol.61
, pp. 293-311
-
-
Rullmann, J.A.C.1
Duijnen, P.Th.V.2
-
20
-
-
23844536155
-
Nonperiodic boundary conditions for solvated systems
-
Petraglio G. Nonperiodic boundary conditions for solvated systems. J. Chem. Phys. 123 (2005) 044103
-
(2005)
J. Chem. Phys.
, vol.123
, pp. 044103
-
-
Petraglio, G.1
-
21
-
-
0033613164
-
Tanford-Kirkwood electrostatics for protein modeling
-
Havranek J.J., and Harbury P.B. Tanford-Kirkwood electrostatics for protein modeling. Proc. Natl. Acad. Sci. USA 96 (1999) 11145-11150
-
(1999)
Proc. Natl. Acad. Sci. USA
, vol.96
, pp. 11145-11150
-
-
Havranek, J.J.1
Harbury, P.B.2
-
23
-
-
0026678802
-
Electrostatic image theory for the dielectric sphere
-
Lindell I.V. Electrostatic image theory for the dielectric sphere. Radio Sci. 27 (1992) 1-8
-
(1992)
Radio Sci.
, vol.27
, pp. 1-8
-
-
Lindell, I.V.1
-
24
-
-
0029275990
-
Charge images in a dielectric sphere
-
Norris W.T. Charge images in a dielectric sphere. IEE Proc.-Sci. Meas. Technol. 142 (1995) 142-150
-
(1995)
IEE Proc.-Sci. Meas. Technol.
, vol.142
, pp. 142-150
-
-
Norris, W.T.1
-
25
-
-
0028388229
-
Algorithm 726; ORTHPOL-a package of routines for generating orthogonal polynomials and Gauss-type quadrature rules
-
Gautschi W. Algorithm 726; ORTHPOL-a package of routines for generating orthogonal polynomials and Gauss-type quadrature rules. ACM Trans. Math. Softw. 20 (1994) 21-62
-
(1994)
ACM Trans. Math. Softw.
, vol.20
, pp. 21-62
-
-
Gautschi, W.1
|