(Q57828939)

English

Multidimensional adaptive umbrella sampling: Applications to main chain and side chain peptide conformations

No description defined

In more languages

edit

Statements

instance of

scholarly article

0 references

title

Multidimensional adaptive umbrella sampling: Applications to main chain and side chain peptide conformations (English)

0 references

main subject

general chemistry

0 references

computational mathematics

0 references

2

Martin Karplus

0 references

author name string

Christian Bartels

series ordinal

1

0 references

publication date

September 1997

0 references

published in

Journal of Computational Chemistry

0 references

volume

18

0 references

issue

12

0 references

page(s)

1450-1462

0 references

cites work

Enhanced conformational sampling in Monte Carlo simulations of proteins: application to a constrained peptide

0 references

Backbone-dependent rotamer library for proteins. Application to side-chain prediction

0 references

THE weighted histogram analysis method for free-energy calculations on biomolecules. I. The method

0 references

Dynamical theory of activated processes in globular proteins

0 references

An adaptive umbrella sampling procedure in conformational analysis using molecular dynamics and its application to glycol

0 references

Multidimensional free-energy calculations using the weighted histogram analysis method

0 references

Prediction of peptide conformation by multicanonical algorithm: New approach to the multiple-minima problem

0 references

Prediction of the native conformation of a polypeptide by a statistical-mechanical procedure. I. Backbone structure of enkephalin.

0 references

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

0 references

Microfolding: Conformational probability map for the alanine dipeptide in water from molecular dynamics simulations

0 references

Adaptive umbrella sampling: Self-consistent determination of the non-Boltzmann bias

0 references

Multicanonical ensemble: A new approach to simulate first-order phase transitions

0 references

Comparative study of multicanonical and simulated annealing algorithms in the protein folding problem

0 references

New Monte Carlo algorithm: Entropic sampling.

0 references

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

0 references

Identifiers

DOI

10.1002/(SICI)1096-987X(199709)18:12<1450::AID-JCC3>3.0.CO;2-I

0 references

(Q57828939)

Multidimensional adaptive umbrella sampling: Applications to main chain and side chain peptide conformations

Statements

Identifiers

Sitelinks

Wikipedia(0 entries)

Wikibooks(0 entries)

Wikinews(0 entries)

Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(0 entries)