(Q30328718)

18 June 2017

title

Free-energy calculations highlight differences in accuracy between X-ray and NMR structures and add value to protein structure prediction. (English)

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protein structure prediction

18 June 2017

main subject

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author name string

Lee MR

series ordinal

1

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18 June 2017

Kollman PA

series ordinal

2

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18 June 2017

publication date

1 October 2001

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18 June 2017

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18 June 2017

volume

9

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18 June 2017

issue

10

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18 June 2017

page(s)

905-916

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Calculating structures and free energies of complex molecules: combining molecular mechanics and continuum models

18 June 2017

cites work

1 reference

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Energy functions that discriminate X-ray and near native folds from well-constructed decoys

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7 January 2021

Principles that govern the folding of protein chains

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7 January 2021

Two energetically disparate folding pathways of alpha-lytic protease share a single transition state

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7 January 2021

Factors affecting the ability of energy functions to discriminate correct from incorrect folds

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https://api.crossref.org/works/10.1016%2FS0969-2126%2801%2900660-8

7 January 2021

Effective energy functions for protein structure prediction.

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https://api.crossref.org/works/10.1016%2FS0969-2126%2801%2900660-8

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Discrimination of near-native protein structures from misfolded models by empirical free energy functions

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7 January 2021

Statistics of sequence-structure threading

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7 January 2021

Discrimination of the native from misfolded protein models with an energy function including implicit solvation

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https://api.crossref.org/works/10.1016%2FS0969-2126%2801%2900660-8

7 January 2021

Theory for the folding and stability of globular proteins

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7 January 2021

Spin glasses and the statistical mechanics of protein folding

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7 January 2021

From Levinthal to pathways to funnels

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7 January 2021

Protein model structure evaluation using the solvation free energy of folding

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7 January 2021

Solvation energy in protein folding and binding

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7 January 2021

2.1 and 1.8 A average C(alpha) RMSD structure predictions on two small proteins, HP-36 and s15.

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7 January 2021

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

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7 January 2021

Comparison of simple potential functions for simulating liquid water

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7 January 2021

Particle mesh Ewald: An N⋅log(N) method for Ewald sums in large systems

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7 January 2021

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

1 reference

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7 January 2021

10.1016/S0969-2126(01)00660-8

Identifiers

DOI

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18 June 2017

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