Cargando…

Fragment docking supported by NMR shift perturbations

Detalles Bibliográficos
Autores principales:	Brink, Tim ten, Aguirre, Clementine, Krimm, Isabelle
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	BioMed Central 2014
Materias:	Poster Presentation
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3980164/ http://dx.doi.org/10.1186/1758-2946-6-S1-P18

Ejemplares similares

Comparing Binding Modes of Analogous Fragments Using NMR in Fragment-Based Drug Design: Application to PRDX5
por: Aguirre, Clémentine, et al.
Publicado: (2014)

BcL-xL Conformational Changes upon Fragment Binding Revealed by NMR
por: Aguirre, Clémentine, et al.
Publicado: (2013)

Guiding protein-ligand docking with different experimental NMR-data
por: ten Brink, Tim, et al.
Publicado: (2012)

The influence of protonation in protein-ligand docking
por: Brink, ten T, et al.
Publicado: (2008)

1D NMR WaterLOGSY as an efficient method for fragment-based lead discovery
por: Raingeval, Claire, et al.
Publicado: (2019)

From chemical shift data through prediction to assignment and NMR LIMS - multiple functionalities of nmrshiftdb2
por: Kuhn, Stefan, et al.
Publicado: (2012)

A combined combinatorial and pKa-based approach to ligand protonation states
por: ten Brink, Tim, et al.
Publicado: (2010)

The measurement of binding affinities by NMR chemical shift perturbation
por: Hobbs, Billy, et al.
Publicado: (2022)

Ensemble docking revisited
por: Korb, Oliver, et al.
Publicado: (2010)

Enabling STD-NMR fragment screening using stabilized native GPCR: A case study of adenosine receptor
por: Igonet, Sébastien, et al.
Publicado: (2018)

Molecular fragments chemoinformatics
por: Kuhn, Hubert, et al.
Publicado: (2010)

ParaDockS - an open-source framework for molecular docking: implementation of target-class-specific scoring methods
por: Scharfe, Michael, et al.
Publicado: (2013)

Large-scale docking approaches to the kinome
por: Schmidt, Denis, et al.
Publicado: (2014)

PARADOCKS – a framework for molecular docking
por: Pippel, M, et al.
Publicado: (2011)

Searching substructures in fragment spaces
por: Ehrlich, H-C, et al.
Publicado: (2011)

An NMR-Guided Screening Method for Selective Fragment Docking and Synthesis of a Warhead Inhibitor
por: Khattri, Ram B., et al.
Publicado: (2016)

NMR metabonomic study of lung cancer: metabolic profiling of tissues
por: Rocha, Cláudia M, et al.
Publicado: (2010)

NMR spectroscopy of HIV-1 gp120 outer domain
por: Sastry, M, et al.
Publicado: (2012)

Improving the classification of brain tumors in mice with perturbation enhanced (PE)-MRSI
por: Simões, Rui V, et al.
Publicado: (2010)

Fixed point topology and robustness to perturbations between pairs of coupled neurons
por: Norman, Sharon E, et al.
Publicado: (2012)

Protective role of the half-center oscillator connectivity against external perturbations
por: Barnett, William, et al.
Publicado: (2013)

The pipelined metabolite identification based on MS fragmentation
por: Rojas-Cherto, Miguel, et al.
Publicado: (2010)

The application of statistical methods to cognate docking: A path forward?
por: Stahl, Gunther, et al.
Publicado: (2014)

Rescoring of docking poses using force field-based methods
por: Fischer, Nina M, et al.
Publicado: (2010)

A flexible-hydrogen interaction model for protein-ligand docking
por: Henzler, Angela M, et al.
Publicado: (2012)

The assessment of computationally derived protein ensembles in protein-ligand docking
por: Sander, Barbara, et al.
Publicado: (2012)

Development of target-biased scoring functions for protein-ligand docking
por: Scharfe, Michael, et al.
Publicado: (2012)

A framework and workflow system for virtual screening and molecular docking
por: Schumann, M, et al.
Publicado: (2011)

Generation of structure-based pharmacophores using energetic analysis – application on fragment docking
por: Loving, Kathryn, et al.
Publicado: (2011)

Robustness of STDP-induced memory to perturbations of presynaptic activity: a simulation study
por: Zheng, Youwei, et al.
Publicado: (2011)

The effect of synaptic plasticity on the stability of place fields under graded environmental perturbations
por: Ward, Kathryn, et al.
Publicado: (2010)

The perturbation response and power spectrum of a mean-field of IF neurons with inhomogeneous inputs
por: Peterson, Andre DH, et al.
Publicado: (2010)

Perturbations can distinguish underlying dynamics in phase-locked two-neuron networks
por: Norman, Sharon E, et al.
Publicado: (2013)

Does noise shift or delete spikes?
por: Voronenko, Sergej, et al.
Publicado: (2013)

NMR metabonomic study of lung cancer: metabolic profiling of urine and blood plasma
por: Carrola, Joana, et al.
Publicado: (2010)

Postprocessing of molecular docking poses using binding free energy calculations
por: Wichapong, Kanin, et al.
Publicado: (2012)

Docking and virtual screening of novel inhibitors for mono-ADP-ribosylating toxins
por: Scharfe, M, et al.
Publicado: (2011)

Metabolic modeling predicts perturbations extending lifespan in yeast and counteracting aging in mammalian muscle
por: Yizhak, Keren, et al.
Publicado: (2012)

Design of a DNA-based shift register
por: Gearheart, Christy M, et al.
Publicado: (2010)

Distances covered by ICU nurses during their shifts
por: Nahk, E, et al.
Publicado: (2009)

Cannot write session to /tmp/vufind_sessions/sess_g1nhim8igts1fg1q98qbe01cei