Daniel Borgis

发表

A dielectric continuum model of solvation for complex solutes

Massimo Marchi, Nicolas Levy, Daniel Borgis, 2005, Comput. Phys. Commun..

Predicting Hydration Free Energies of the FreeSolv Database of Drug-like Molecules with Molecular Density Functional Theory

Daniel Borgis, Sohvi Luukkonen, Luc Belloni, 2020, J. Chem. Inf. Model..

Combining a polarizable force‐field and a coarse‐grained polarizable solvent model: Application to long dynamics simulations of bovine pancreatic trypsin inhibitor

Daniel Borgis, Michel Masella, Philippe Cuniasse, 2008, J. Comput. Chem..

A semi‐implicit solvent model for the simulation of peptides and proteins

Daniel Borgis, Nathalie Basdevant, Tap Ha-Duong, 2004, J. Comput. Chem..

Combining a polarizable force‐field and a coarse‐grained polarizable solvent model. II. Accounting for hydrophobic effects

Daniel Borgis, Michel Masella, Philippe Cuniasse, 2011, J. Comput. Chem..

A multiscale coarse‐grained polarizable solvent model for handling long tail bulk electrostatics

Daniel Borgis, Michel Masella, Philippe Cuniasse, 2013, J. Comput. Chem..

Fast Computation of Solvation Free Energies with Molecular Density Functional Theory: Thermodynamic-Ensemble Partial Molar Volume Corrections.

Daniel Borgis, Maximilien Levesque, Guillaume Jeanmairet, 2014, The journal of physical chemistry letters.

Modeling Protein-Protein Recognition in Solution Using the Coarse-Grained Force Field SCORPION.

Daniel Borgis, Nathalie Basdevant, Tap Ha-Duong, 2013, Journal of chemical theory and computation.

A coarse-grained protein-protein potential derived from an all-atom force field.

Daniel Borgis, Nathalie Basdevant, Tap Ha-Duong, 2007, The journal of physical chemistry. B.

An extended empirical valence bond model for describing proton transfer in H+(H2O)n clusters and liquid water

Daniel Borgis, Rodolphe Vuilleumier, R. Vuilleumier, 1998 .

Quantum Dynamics of an Excess Proton in Water Using an Extended Empirical Valence-Bond Hamiltonian

Daniel Borgis, Rodolphe Vuilleumier, R. Vuilleumier, 1998 .

Computing Wigner distributions and time correlation functions using the quantum thermal bath method: application to proton transfer spectroscopy.

Daniel Borgis, Rodolphe Vuilleumier, R. Vuilleumier, 2013, Physical chemistry chemical physics : PCCP.

Electrostatics on particles: Phenomenological and orientational density functional theory approach

Daniel Borgis, Massimo Marchi, M. Marchi, 2002 .

Transport and spectroscopy of the hydrated proton: A molecular dynamics study

Daniel Borgis, Rodolphe Vuilleumier, R. Vuilleumier, 1999 .

Particle-Based Implicit Solvent Model for Biosimulations: Application to Proteins and Nucleic Acids Hydration.

Daniel Borgis, Nathalie Basdevant, Tap Ha-Duong, 2006, Journal of chemical theory and computation.

Molecular dynamics of an excess proton in water using a non-additive valence bond force field

Daniel Borgis, Rodolphe Vuilleumier, R. Vuilleumier, 1997 .

A topological analysis of the proton transfer in H5O2

Daniel Borgis, Bernard Silvi, Rodolphe Vuilleumier, 1999 .

A semiempirical quantum polarization model for water

Daniel Borgis, A. Staib, D. Borgis, 1995 .

Computing the electrostatic free-energy of complex molecules: The variational Coulomb field approximation

Nicolas Levy, Daniel Borgis, Massimo Marchi, 2003 .

An Extended Empirical Valence Bond Model for Describing Proton Mobility in Water

Daniel Borgis, Rodolphe Vuilleumier, R. Vuilleumier, 1999 .