A. M. Ruvinsky, A. V. Kozintsev New and fast statistical-thermodynamic method for computation of protein-ligand binding entropy substantially improves docking accuracy. [Citation Graph (0, 0)][DBLP] Journal of Computational Chemistry, 2005, v:26, n:11, pp:1089-1095 [Journal]

Caterina Benzi, Maurizio Cossi, Roberto Improta, Vincenzo Barone Building cavities in a fluid of spherical or rod-like particles: A contribution to the solvation free energy in isotropic and anisotropic polarizable continuum model. [Citation Graph (0, 0)][DBLP] Journal of Computational Chemistry, 2005, v:26, n:11, pp:1096-1105 [Journal]

Nohad Gresh, Jean-Philip Piquemal, Morris Krauss Representation of Zn(II) complexes in polarizable molecular mechanics. Further refinements of the electrostatic and short-range contributions. Comparisons with parallel ab initio computations. [Citation Graph (0, 0)][DBLP] Journal of Computational Chemistry, 2005, v:26, n:11, pp:1113-1130 [Journal]

Jens Antony, Jean-Philip Piquemal, Nohad Gresh Complexes of thiomandelate and captopril mercaptocarboxylate inhibitors to metallo-lactamase by polarizable molecular mechanics. Validation on model binding sites by quantum chemistry. [Citation Graph (0, 0)][DBLP] Journal of Computational Chemistry, 2005, v:26, n:11, pp:1131-1147 [Journal]

Siegfried Höfinger Solving the Poisson-Boltzmann equation with the specialized computer chip MD-GRAPE-2. [Citation Graph (0, 0)][DBLP] Journal of Computational Chemistry, 2005, v:26, n:11, pp:1148-1154 [Journal]

Maxence Launay, Richard Dronskowski A theoretical study on the structures and energetics of hypothetical TiM(NCN)3 compounds of the 3d transition metals. [Citation Graph (0, 0)][DBLP] Journal of Computational Chemistry, 2005, v:26, n:11, pp:1180-1188 [Journal]

Hongzhi Li, Yaoqi Zhou SCUD: Fast structure clustering of decoys using reference state to remove overall rotation. [Citation Graph (0, 0)][DBLP] Journal of Computational Chemistry, 2005, v:26, n:11, pp:1189-1192 [Journal]

Manfred Rudolph Attaining exponential convergence for the flux error with second- and fourth-order accurate finite-difference equations. Part 3. Application to electrochemical systems comprising second-order chemical reactions. [Citation Graph (0, 0)][DBLP] Journal of Computational Chemistry, 2005, v:26, n:11, pp:1193-1204 [Journal]

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