Implicit solvent models (Q28267646)

https://api.crossref.org/works/10.1016%2FS0301-4622%2898%2900226-9

7 January 2021

The fluctuation-dissipation theorem

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2898%2900226-9

7 January 2021

Flexibility of tripeptides in solution: free energy molecular mechanics

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2898%2900226-9

7 January 2021

Statistical mechanical treatment of the structural hydration of biological macromolecules: Results forB-DNA

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2898%2900226-9

7 January 2021

Hydration of an alpha-helical peptide: comparison of theory and molecular dynamics simulation.

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2898%2900226-9

7 January 2021

A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2898%2900226-9

7 January 2021

All-atom empirical potential for molecular modeling and dynamics studies of proteins

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2898%2900226-9

7 January 2021

Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2898%2900226-9

7 January 2021

Thermodynamics of protein-peptide interactions in the ribonuclease-S system studied by molecular dynamics and free energy calculations

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2898%2900226-9

7 January 2021

Free energy simulations: the meaning of the individual contributions from a component analysis.

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2898%2900226-9

7 January 2021

Scaled Particle Methods in the Statistical Thermodynamics of Fluids

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2898%2900226-9

7 January 2021

A scaled particle theory of aqueous and nonaqueous solutions

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2898%2900226-9

7 January 2021

Interfacial free energy and the hydrophobic effect

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2898%2900226-9

7 January 2021

An information theory model of hydrophobic interactions

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2898%2900226-9

7 January 2021

Cavity Expulsion and Weak Dewetting of Hydrophobic Solutes in Water

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2898%2900226-9

7 January 2021

Reconciling the magnitude of the microscopic and macroscopic hydrophobic effects

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2898%2900226-9

7 January 2021

Extracting hydrophobic free energies from experimental data: relationship to protein folding and theoretical models

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2898%2900226-9

7 January 2021

The use of flory-huggins theory in interpreting partitioning of solutes between organic liquids and water

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2898%2900226-9

7 January 2021

Valence selectivity of the gramicidin channel: a molecular dynamics free energy perturbation study

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2898%2900226-9

7 January 2021

Classical electrostatics in biology and chemistry

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2898%2900226-9

7 January 2021

Electrostatic interactions in macromolecules: theory and applications

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2898%2900226-9

7 January 2021

Calculation of the total electrostatic energy of a macromolecular system: solvation energies, binding energies, and conformational analysis

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2898%2900226-9

7 January 2021

Calculation of the electric potential in the active site cleft due to alpha-helix dipoles

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2898%2900226-9

7 January 2021

Family of G protein alpha chains: amphipathic analysis and predicted structure of functional domains

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2898%2900226-9

7 January 2021

A new method for computing the macromolecular electric potential.

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2898%2900226-9

7 January 2021

Theory of the Poisson Green's function for discontinuous dielectric media with an application to protein biophysics

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2898%2900226-9

7 January 2021

COSMO: a new approach to dielectric screening in solvents with explicit expressions for the screening energy and its gradient

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2898%2900226-9

7 January 2021

Electrostatic Energy and Macromolecular Function

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2898%2900226-9

7 January 2021

The modelling of electrostatic interactions in the function of globular proteins

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2898%2900226-9

7 January 2021

Chemical and Electrochemical Electron-Transfer Theory

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2898%2900226-9

7 January 2021

The dielectric constant of a folded protein

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2898%2900226-9

7 January 2021

Internal and interfacial dielectric properties of cytochrome c from molecular dynamics in aqueous solution

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2898%2900226-9

7 January 2021

The effect of protein relaxation on charge-charge interactions and dielectric constants of proteins

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2898%2900226-9

7 January 2021

Semianalytical treatment of solvation for molecular mechanics and dynamics

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2898%2900226-9

7 January 2021

Solvent-accessible surfaces of proteins and nucleic acids

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2898%2900226-9

7 January 2021

Solvent accessible surface area and excluded volume in proteins. Analytical equations for overlapping spheres and implications for the hydrophobic effect.

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2898%2900226-9

7 January 2021

Solvation energy in protein folding and binding

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2898%2900226-9

7 January 2021

Atomic solvation parameters applied to molecular dynamics of proteins in solution

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2898%2900226-9

7 January 2021

An Efficient Mean Solvation Force Model for Use in Molecular Dynamics Simulations of Proteins in Aqueous Solution

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2898%2900226-9

7 January 2021

Excluded volume approximation to protein-solvent interaction. The solvent contact model

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2898%2900226-9

7 January 2021

"New view" of protein folding reconciled with the old through multiple unfolding simulations.

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2898%2900226-9

7 January 2021

Analytical approximation to the accessible surface area of proteins.

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2898%2900226-9

7 January 2021

Calculation of conformational ensembles from potentials of mean force. An approach to the knowledge-based prediction of local structures in globular proteins.

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2898%2900226-9

7 January 2021

Boltzmann's principle, knowledge-based mean fields and protein folding. An approach to the computational determination of protein structures

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2898%2900226-9

7 January 2021

Folding proteins with a simple energy function and extensive conformational searching

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2898%2900226-9

7 January 2021

Inter-residue potentials in globular proteins and the dominance of highly specific hydrophilic interactions at close separation.

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2898%2900226-9

7 January 2021

An empirical energy function for threading protein sequence through the folding motif

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2898%2900226-9

7 January 2021

Evaluation of atomic level mean force potentials via inverse folding and inverse refinement of protein structures: atomic burial position and pairwise non-bonded interactions

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2898%2900226-9

7 January 2021

Self-consistently optimized statistical mechanical energy functions for sequence structure alignment

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2898%2900226-9

7 January 2021

How to derive a protein folding potential? A new approach to an old problem

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2898%2900226-9

7 January 2021

Empirical potentials and functions for protein folding and binding.

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2898%2900226-9

7 January 2021

Potential energy functions for threading

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2898%2900226-9

7 January 2021

Structure-derived potentials and protein simulations

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2898%2900226-9

7 January 2021

10.1016/S0301-4622(98)00226-9

Identifiers

DOI

1 reference

Consolidated OpenCitations Corpus – April 2017

2078676

2078676

1 reference

Consolidated OpenCitations Corpus – April 2017

Consolidated OpenCitations Corpus – April 2017

1 reference