(Q51033732)

27 March 2018

title

Bayesian inference of conformational state populations from computational models and sparse experimental observables. (English)

1 reference

27 March 2018

1 reference

1

1 reference

27 March 2018

Guangfeng Zhou

series ordinal

2

1 reference

27 March 2018

publication date

24 September 2014

1 reference

27 March 2018

Journal of Computational Chemistry

published in

1 reference

27 March 2018

volume

35

1 reference

27 March 2018

issue

30

1 reference

27 March 2018

page(s)

2215-2224

1 reference

27 March 2018

Quantification of free ligand conformational preferences by NMR and their relationship to the bioactive conformation

cites work

1 reference

N-methylation of peptides and proteins: an important element for modulating biological functions

21 January 2018

1 reference

Rational optimization of conformational effects induced by hydrocarbon staples in peptides and their binding interfaces

21 January 2018

1 reference

Profound methyl effects in drug discovery and a call for new C-H methylation reactions

21 January 2018

1 reference

N-Methylated cyclic RGD peptides as highly active and selective alpha(V)beta(3) integrin antagonists

21 January 2018

1 reference

Design of protein-protein interaction inhibitors based on protein epitope mimetics.

21 January 2018

1 reference

Determination of the populations and structures of multiple conformers in an ensemble from NMR data: multiple-copy refinement of nucleic acid structures using floating weights

21 January 2018

1 reference

The solution structure of (+)-spongistatin 1 in DMSO.

21 January 2018

1 reference

Diastereomer configurations from joint experimental-computational analysis

21 January 2018

1 reference

ISD: a software package for Bayesian NMR structure calculation.

21 January 2018

1 reference

Modeling intrinsically disordered proteins with bayesian statistics

21 January 2018

1 reference

Inferential structure determination.

21 January 2018

1 reference

Generative probabilistic models extend the scope of inferential structure determination

21 January 2018

1 reference

Potentials of mean force for protein structure prediction vindicated, formalized and generalized

21 January 2018

1 reference

Inference of structure ensembles of flexible biomolecules from sparse, averaged data

21 January 2018

1 reference

An introduction to best practices in free energy calculations

21 January 2018

1 reference

Bayesian estimation of free energies from equilibrium simulations.

21 January 2018

1 reference

Statistically optimal analysis of samples from multiple equilibrium states

21 January 2018

1 reference

Molecular dynamics re-refinement of two different small RNA loop structures using the original NMR data suggest a common structure

21 January 2018

1 reference

De novo structure prediction and experimental characterization of folded peptoid oligomers.

21 January 2018

1 reference

GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit

21 January 2018

1 reference

Development and testing of a general amber force field

21 January 2018

1 reference

Exploring protein native states and large-scale conformational changes with a modified generalized born model

21 January 2018

1 reference

Fast, efficient generation of high-quality atomic charges. AM1-BCC model: II. Parameterization and validation

21 January 2018

1 reference

MSMBuilder2: Modeling Conformational Dynamics at the Picosecond to Millisecond Scale

21 January 2018

1 reference

Modeling errors in NOE data with a log-normal distribution improves the quality of NMR structures

21 January 2018

1 reference

UCSF Chimera--a visualization system for exploratory research and analysis

21 January 2018

1 reference

On the Use of Experimental Observations to Bias Simulated Ensembles

21 January 2018

1 reference

A combined NMR/MD/QM approach for structure and dynamics elucidations in the solution state: pilot studies using tetrapeptides

21 January 2018

1 reference

21 January 2018

Identifiers

DOI

10.1002/JCC.23738

1 reference

27 March 2018

DBLP publication ID

journals/jcc/VoelzZ14

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference

27 March 2018