Effective atom volumes for implicit solvent models: comparison between Voronoi volumes and minimum fluctuation volumes (Q57828875)

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

21 January 2018

1 reference

The molecular surface package

21 January 2018

1 reference

Tertiary templates for proteins. Use of packing criteria in the enumeration of allowed sequences for different structural classes

21 January 2018

1 reference

The role of packing interactions in stabilizing folded proteins

21 January 2018

1 reference

Deviations from standard atomic volumes as a quality measure for protein crystal structures

21 January 2018

1 reference

21 January 2018

Implicit solvent models

1 reference

Implicit Solvation Models: Equilibria, Structure, Spectra, and Dynamics

21 January 2018

1 reference

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

21 January 2018

1 reference

Effective energy function for proteins in solution

21 January 2018

1 reference

Generalized born fragment charge model for solvation effects as a function of reaction coordinate

21 January 2018

1 reference

Semianalytical treatment of solvation for molecular mechanics and dynamics

21 January 2018

1 reference

Solution conformations and thermodynamics of structured peptides: molecular dynamics simulation with an implicit solvation model.

21 January 2018

1 reference

CHARMM: A program for macromolecular energy, minimization, and dynamics calculations

21 January 2018

1 reference

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

21 January 2018

1 reference

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

21 January 2018

1 reference

A precise analytical method for calculating the electrostatic energy of macromolecules in aqueous solution

21 January 2018

1 reference

Pairwise solute descreening of solute charges from a dielectric medium

21 January 2018

1 reference

Areas, volumes, packing and protein structure

21 January 2018

1 reference

The Protein Data Bank: a computer-based archival file for macromolecular structures

21 January 2018

1 reference

21 January 2018

The Protein Data Bank

1 reference

Model for Aqueous Solvation Based on Class IV Atomic Charges and First Solvation Shell Effects

21 January 2018

1 reference

A Gaussian Description of Molecular Shape

21 January 2018

1 reference

Environment and exposure to solvent of protein atoms. Lysozyme and insulin

21 January 2018

1 reference

The nucleic acid database. A comprehensive relational database of three-dimensional structures of nucleic acids

21 January 2018

1 reference

pKa's of ionizable groups in proteins: atomic detail from a continuum electrostatic model

21 January 2018

1 reference

Electrostatic contributions to molecular free energies in solution

21 January 2018

1 reference

Volume occupation, environment and accessibility in proteins. The problem of the protein surface

21 January 2018

1 reference

Self consistent field theory of solvent effects representation by continuum models: Introduction of desolvation contribution

21 January 2018

1 reference

Simulation of activation free energies in molecular systems

21 January 2018

1 reference

Electrostatics and diffusion of molecules in solution: simulations with the University of Houston Brownian dynamics program

21 January 2018

1 reference

Calculation of protein volumes: an alternative to the Voronoi procedure

21 January 2018

1 reference

Internal packing and protein structural classes

21 January 2018

1 reference

The inclusion of electrostatic hydration energies in molecular mechanics calculations

21 January 2018

1 reference

Focusing of electric fields in the active site of Cu-Zn superoxide dismutase: effects of ionic strength and amino-acid modification

21 January 2018

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/JCC.1137

Identifiers

DOI

10.1002/JCC.1137

0 references

DBLP publication ID

journals/jcc/SchaeferBLK01

1 reference

DBLP Dataset 2021-01-02