(Q46630960)

23 December 2017

title

Amine hydration: a united-atom force-field solution (English)

1 reference

23 December 2017

author

Chris Oostenbrink

series ordinal

1

1 reference

23 December 2017

Wilfred F van Gunsteren

series ordinal

3

object named as

Wilfred F van Gunsteren

1 reference

23 December 2017

author name string

Daniel Juchli

series ordinal

2

1 reference

23 December 2017

publication date

1 September 2005

1 reference

23 December 2017

published in

ChemPhysChem

1 reference

23 December 2017

volume

6

1 reference

23 December 2017

issue

9

1 reference

23 December 2017

page(s)

1800-1804

1 reference

23 December 2017

Accurate First Principles Calculation of Molecular Charge Distributions and Solvation Energies from Ab Initio Quantum Mechanics and Continuum Dielectric Theory

cites work

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200400542

7 January 2021

AMBER: Assisted model building with energy refinement. A general program for modeling molecules and their interactions

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200400542

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/10.1002%2FCPHC.200400542

7 January 2021

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

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200400542

7 January 2021

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

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200400542

7 January 2021

The OPLS [optimized potentials for liquid simulations] potential functions for proteins, energy minimizations for crystals of cyclic peptides and crambin

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200400542

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/10.1002%2FCPHC.200400542

7 January 2021

An improved GROMOS96 force field for aliphatic hydrocarbons in the condensed phase

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200400542

7 January 2021

Calculation of the free energy of solvation for neutral analogs of amino acid side chains

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200400542

7 January 2021

Calculation of the water–cyclohexane transfer free energies of neutral amino acid side‐chain analogs using the OPLS all‐atom force field

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200400542

7 January 2021

Extremely precise free energy calculations of amino acid side chain analogs: Comparison of common molecular mechanics force fields for proteins

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200400542

7 January 2021

Parametrization of aliphatic CHn united atoms of GROMOS96 force field

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200400542

7 January 2021

A biomolecular force field based on the free enthalpy of hydration and solvation: the GROMOS force-field parameter sets 53A5 and 53A6

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200400542

7 January 2021

Comparison of simple potential functions for simulating liquid water

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200400542

7 January 2021

The GROMOS Biomolecular Simulation Program Package

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200400542

7 January 2021

Molecular dynamics with coupling to an external bath

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200400542

7 January 2021

Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200400542

7 January 2021

Free energy via molecular simulation: applications to chemical and biomolecular systems

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200400542

7 January 2021

A new method for predicting binding affinity in computer-aided drug design

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200400542

7 January 2021

Identifiers

DOI

10.1002/CPHC.200400542

1 reference

23 December 2017

release_dy7w73s7mnadve37ineg2k7rqy

Fatcat ID

1 reference

Fatcat

https://api.fatcat.wiki/v0/release/dy7w73s7mnadve37ineg2k7rqy

24 November 2022

mapped directly with Wikidata item

1 reference

23 December 2017