Cargando…

Where are the boundaries? Automated pocket detection for druggability studies

Detalles Bibliográficos
Autores principales:	Volkamer, Andrea, Grombacher, T, Rarey, Matthias
Formato:	Texto
Lenguaje:	English
Publicado:	BioMed Central 2010
Materias:	Poster Presentation
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2867143/ http://dx.doi.org/10.1186/1758-2946-2-S1-P11

Ejemplares similares

PoseView -- molecular interaction patterns at a glance
por: Stierand, Katrin, et al.
Publicado: (2010)

Force-field-based minimizations of protein-ligand complexes in the blink of an eye
por: Heinzerling, Lennart, et al.
Publicado: (2013)

Druggable Transient Pockets in Protein Kinases
por: Umezawa, Koji, et al.
Publicado: (2021)

Systematic search for pairwise dependencies of torsion angles
por: Schärfer, Christin, et al.
Publicado: (2012)

TorsionAnalyzer: exploring conformational space
por: Schärfer, Christin, et al.
Publicado: (2013)

Elucidating protein-protein interactions using the HYDE scoring function
por: Vennmann, Eva, et al.
Publicado: (2014)

Probabilistic Pocket Druggability Prediction via One-Class Learning
por: Aguti, Riccardo, et al.
Publicado: (2022)

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

Prediction of kinase inhibitors cross-reaction on the basis of kinase ATP cavity similarities: a study using PKSIM protein similarity score
por: Zaliani, A, et al.
Publicado: (2008)

Accessing Open PHACTS: interactive exploration of compounds and targets from the semantic web
por: Stierand, Katrin, et al.
Publicado: (2014)

Hydrogen placement in protein-ligand complexes under consideration of tautomerism
por: Bietz, S, et al.
Publicado: (2011)

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

A novel druggable interprotomer pocket in the capsid of rhino- and enteroviruses
por: Abdelnabi, Rana, et al.
Publicado: (2019)

Glutathione facilitates enterovirus assembly by binding at a druggable pocket
por: Duyvesteyn, Helen M. E., et al.
Publicado: (2020)

SGDriver: a novel structural genomics-based approach to prioritize cancer related and potentially druggable somatic mutations
por: Zhao, Junfei, et al.
Publicado: (2015)

Automated, electronic monitoring for early detection of sepsis
por: Rauch, S, et al.
Publicado: (2013)

Flexibility and small pockets at protein–protein interfaces: New insights into druggability
por: Jubb, Harry, et al.
Publicado: (2015)

Boundary representation of neural architecture and connectivity
por: Negrello, Mario, et al.
Publicado: (2011)

HYDEing the false positives – scoring for lead optimization
por: Schneider, N, et al.
Publicado: (2011)

How transient pockets open on the surface of the MDM2 protein
por: Eyrisch, Susanne, et al.
Publicado: (2008)

Where are the most informative neurons?
por: Teng, Ching-Ling, et al.
Publicado: (2013)

Boundary effects across filter spatial scales
por: Wloka, Calden, et al.
Publicado: (2014)

In Silico Assessment of Potential Druggable Pockets on the Surface of α(1)-Antitrypsin Conformers
por: Patschull, Anathe O. M., et al.
Publicado: (2012)

Tertiary structure prediction and identification of druggable pocket in the cancer biomarker – Osteopontin-c
por: Sivakumar, Subramaniam, et al.
Publicado: (2014)

Using Tactics to Find Druggable Pockets in SARS-CoV-2 Proteins
por: Evans, Daniel J., et al.
Publicado: (2021)

Molecular docking of resveratrol with known protein structures as well as high-throughput meta-data analyses uncork the “French Paradox” and its potential “Druggable” targets in humans
por: Pushparaj, Peter Natesan, et al.
Publicado: (2014)

P17-25. A model for coverage of T-cell HIV vaccines: where are we and where do we need to be?
por: Self, S, et al.
Publicado: (2009)

Aligning chemical structure diagrams with local search
por: Hilbig, Matthias, et al.
Publicado: (2012)

A new method for rapid comparison of protein binding pockets by capturing spatial distributions
por: Krotzky, Timo, et al.
Publicado: (2014)

Central venous catheter placement: where is the end of the line?
por: Tizard, K, et al.
Publicado: (2012)

Unveiling Druggable Pockets by Site-Specific Protein Modification: Beyond Antibody-Drug Conjugates
por: Martínez, Dailén G., et al.
Publicado: (2020)

Identifying regulatory elements and gene boundaries with comparative genomic sequence analysis
por: Lund, Jim
Publicado: (2008)

Boundary distinction interpretation of microarray data via discrete correlate summation
por: Westwood, Brian M, et al.
Publicado: (2011)

Facing the challenges of computational target prediction
por: Schomburg, Karen T, et al.
Publicado: (2014)

Hospital hand hygiene opportunities: where and when (HOW2)?
por: Steed, CJ, et al.
Publicado: (2011)

PB.15: Pain in mammography: where and why does it arise?
por: O'Leary, D, et al.
Publicado: (2013)

Stepped-wedge cluster randomised trials: where, when and why?
por: Grayling, Michael, et al.
Publicado: (2015)

Fast automated placement of polar hydrogen atoms in protein-ligand complexes
por: Lippert, Tobias, et al.
Publicado: (2009)

Novel binding pocket descriptors based on DrugScore potential fields encoded by 3D Zernike descriptors
por: Nisius, Britta, et al.
Publicado: (2012)

A134 THE PEDIATRIC ENDOSCOPY POCKET GUIDE – DEVELOPMENT OF A NOVEL “IN-THE-MOMENT” ELECTRONIC RESOURCE FOR PEDIATRIC ENDOSCOPY
por: Sharma, R, et al.
Publicado: (2023)

Cannot write session to /tmp/vufind_sessions/sess_a5qq6tv1r34gpkpquld0qhgvdh