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

An improved coarse-grained model of solvation and the hydrophobic effect

(2011) Patrick Varilly et al.   JOURNAL OF CHEMICAL PHYSICS

Quantum Chemical and Molecular Dynamics Study of the Coordination of Th(IV) in Aqueous Solvent

(2010) Florent Réal et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Quantum Mechanical Dynamics of Charge Transfer in Ubiquitin in Aqueous Solution

(2009) Victor M. Anisimov et al.   CHEMPHYSCHEM

Probability Distributions of Hydration Water Molecules around Polar Protein Atoms Obtained by a Database Analysis

(2009) Daisuke Matsuoka et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Local Order, Energy, and Mobility of Water Molecules in the Hydration Shell of Small Peptides

(2009) Manish Agarwal et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Polarization effects in molecular mechanical force fields

(2009) Piotr Cieplak et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Protein Hydration Dynamics and Molecular Mechanism of Coupled Water−Protein Fluctuations

(2009) Luyuan Zhang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Role of attractive methane-water interactions in the potential of mean force between methane molecules in water

(2008) D. Asthagiri et al.   JOURNAL OF CHEMICAL PHYSICS

Computing accurate potentials of mean force in electrolyte solutions with the generalized gradient-augmented harmonic Fourier beads method

(2008) Ilja V. Khavrutskii et al.   JOURNAL OF CHEMICAL PHYSICS

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

(2008) Michel Masella et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Water Modeled As an Intermediate Element between Carbon and Silicon†

(2008) Valeria Molinero et al.   JOURNAL OF PHYSICAL CHEMISTRY B