4.7 Article

Adaptive spectral clustering with application to tripeptide conformation analysis

Related references

Note: Only part of the references are listed.
Article Chemistry, Physical

Hierarchical Nystrom methods for constructing Markov state models for conformational dynamics

Yuan Yao et al.

JOURNAL OF CHEMICAL PHYSICS (2013)

Article Chemistry, Physical

Milestoning with coarse memory

Alexander T. Hawk

JOURNAL OF CHEMICAL PHYSICS (2013)

Article Chemistry, Physical

Accuracy of a Markov state model generated by searching for basin escape pathways

Vijesh J. Bhute et al.

JOURNAL OF CHEMICAL PHYSICS (2013)

Article Statistics & Probability

Fuzzy spectral clustering by PCCA plus : application to Markov state models and data classification

Susanna Roeblitz et al.

ADVANCES IN DATA ANALYSIS AND CLASSIFICATION (2013)

Article Chemistry, Physical

Improved coarse-graining of Markov state models via explicit consideration of statistical uncertainty

Gregory R. Bowman

JOURNAL OF CHEMICAL PHYSICS (2012)

Article Chemistry, Physical

Constrained proper sampling of conformations of transition state ensemble of protein folding

Ming Lin et al.

JOURNAL OF CHEMICAL PHYSICS (2011)

Article Chemistry, Physical

Markov state models based on milestoning

Christof Schuette et al.

JOURNAL OF CHEMICAL PHYSICS (2011)

Article Chemistry, Physical

Identifying and correcting non-Markov states in peptide conformational dynamics

Dmitry Nerukh et al.

JOURNAL OF CHEMICAL PHYSICS (2010)

Article Chemistry, Physical

Comparing geometric and kinetic cluster algorithms for molecular simulation data

Bettina Keller et al.

JOURNAL OF CHEMICAL PHYSICS (2010)

Article Chemistry, Physical

Conformations and vibrational spectra of a model tripeptide: change of secondary structure upon micro-solvation

Hui Zhu et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2010)

Article Biochemistry & Molecular Biology

The production and characterisation of trichotoxin peptaibols, by Trichoderma asperellum

Chanikul Chutrakul et al.

CHEMISTRY & BIODIVERSITY (2008)

Article Chemistry, Physical

On the assumptions underlying milestoning

Eric Vanden-Eijnden et al.

JOURNAL OF CHEMICAL PHYSICS (2008)

Article Chemistry, Physical

A coarse graining method for the identification of transition rates between molecular conformations

Susanna Kube et al.

JOURNAL OF CHEMICAL PHYSICS (2007)

Article Chemistry, Multidisciplinary

Mid-infrared spectroscopy of protected peptides in the gas phase: A probe of the backbone conformation

I Compagnon et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2006)

Article Chemistry, Physical

Transition state theory: Variational formulation, dynamical corrections, and error estimates

E Vanden-Eijnden et al.

JOURNAL OF CHEMICAL PHYSICS (2005)

Article Chemistry, Physical

Foldamer dynamics expressed via Markov state models. II. State space decomposition

SP Elmer et al.

JOURNAL OF CHEMICAL PHYSICS (2005)

Article Chemistry, Physical

Computing time scales from reaction coordinates by milestoning

AK Faradjian et al.

JOURNAL OF CHEMICAL PHYSICS (2004)

Article Mathematics, Applied

Identification of almost invariant aggregates in reversible nearly uncoupled Markov chains

P Deuflhard et al.

LINEAR ALGEBRA AND ITS APPLICATIONS (2000)