| scholarly article | Q13442814 |
| P8978 | DBLP publication ID | journals/jcc/MasellaBC13 |
| P356 | DOI | 10.1002/JCC.23237 |
| P698 | PubMed publication ID | 23382002 |
| P5875 | ResearchGate publication ID | 235401941 |
| P2093 | author name string | Philippe Cuniasse | |
| Michel Masella | |||
| Daniel Borgis | |||
| P2860 | cites work | Electrostatics of nanosystems: application to microtubules and the ribosome | Q24555224 |
| Dual functions of the Hsm3 protein in chaperoning and scaffolding regulatory particle subunits during the proteasome assembly | Q27678263 | ||
| Theoretical studies of enzymic reactions: dielectric, electrostatic and steric stabilization of the carbonium ion in the reaction of lysozyme | Q28291671 | ||
| Calculations of electrostatic interactions in biological systems and in solutions | Q29031095 | ||
| Modeling induced polarization with classical Drude oscillators: Theory and molecular dynamics simulation algorithm | Q29395465 | ||
| Calculating structures and free energies of complex molecules: combining molecular mechanics and continuum models | Q29616389 | ||
| Insights into protein-protein binding by binding free energy calculation and free energy decomposition for the Ras-Raf and Ras-RalGDS complexes. | Q30333153 | ||
| Generalized born models of macromolecular solvation effects | Q34059768 | ||
| Interfaces and the driving force of hydrophobic assembly | Q34455286 | ||
| Ionic solvation studied by image-charge reaction field method. | Q34607354 | ||
| Long dynamics simulations of proteins using atomistic force fields and a continuum representation of solvent effects: calculation of structural and dynamic properties | Q35574706 | ||
| Liquid-structure forces and electrostatic modulation of biomolecular interactions in solution | Q36772328 | ||
| Water-exclusion and liquid-structure forces in implicit solvation | Q41928427 | ||
| Solvent effect on binding thermodynamics of biopolymers | Q44089020 | ||
| Modeling the hydration of mono-atomic anions from the gas phase to the bulk phase: the case of the halide ions F-, Cl-, and Br-. | Q44197538 | ||
| Electrostatic contributions to protein-protein binding affinities: application to Rap/Raf interaction | Q46345768 | ||
| A semi-implicit solvent model for the simulation of peptides and proteins. | Q47808116 | ||
| Solvation free energies of amino acid side chain analogs for common molecular mechanics water models. | Q51633889 | ||
| Systematic comparison of force fields for microscopic simulations of NaCl in aqueous solutions: diffusion, free energy of hydration, and structural properties. | Q51637260 | ||
| Combining a polarizable force-field and a coarse-grained polarizable solvent model: application to long dynamics simulations of bovine pancreatic trypsin inhibitor. | Q51890634 | ||
| Particle-particle, particle-scaling function algorithm for electrostatic problems in free boundary conditions. | Q51910103 | ||
| Particle-Based Implicit Solvent Model for Biosimulations: Application to Proteins and Nucleic Acids Hydration. | Q51929927 | ||
| Multiple grid methods for classical molecular dynamics. | Q52043059 | ||
| Bridging the gap between thermodynamic integration and umbrella sampling provides a novel analysis method: "Umbrella integration". | Q52994015 | ||
| Particle mesh Ewald: An N⋅log(N) method for Ewald sums in large systems | Q56750591 | ||
| Assessment of Common Simulation Protocols for Simulations of Nanopores, Membrane Proteins, and Channels | Q58454448 | ||
| Long-range interactions and parallel scalability in molecular simulations | Q58454514 | ||
| P433 | issue | 13 | |
| P304 | page(s) | 1112-1124 | |
| P577 | publication date | 2013-02-05 | |
| P1433 | published in | Journal of Computational Chemistry | Q3186908 |
| P1476 | title | A multiscale coarse-grained polarizable solvent model for handling long tail bulk electrostatics | |
| P478 | volume | 34 |
| Q43013072 | Net charge changes in the calculation of relative ligand-binding free energies via classical atomistic molecular dynamics simulation |
| Q48047200 | Protein simulation using coarse-grained two-bead multipole force field with polarizable water models |
| Q37408257 | Specific and non-specific protein association in solution: computation of solvent effects and prediction of first-encounter modes for efficient configurational bias Monte Carlo simulations |
| Q42174938 | The fast multipole method and point dipole moment polarizable force fields |
| Q35751567 | Toward the correction of effective electrostatic forces in explicit-solvent molecular dynamics simulations: restraints on solvent-generated electrostatic potential and solvent polarization |
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