Cargando…

The protein flexibility in receptor-ligand docking simulations

Detalles Bibliográficos
Autor principal:	Tristram, Frank
Formato:	Texto
Lenguaje:	English
Publicado:	BioMed Central 2010
Materias:	Oral Presentation
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2867119/ http://dx.doi.org/10.1186/1758-2946-2-S1-O11

Ejemplares similares

Fleksy: a flexible approach to induced fit docking
por: Wagener, Markus, et al.
Publicado: (2010)

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

A new approach for flexible protein-ligand docking based on Particle Swarm Optimisation
por: Meier, Rene, et al.
Publicado: (2008)

ParaDockS – an open source framework for molecular docking
por: Pippel, Martin, et al.
Publicado: (2012)

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

Variation of geometrical and physicochemical properties in protein binding pockets and their ligands
por: Kahraman, Abdullah, et al.
Publicado: (2007)

Backbone flexibility controls the activity and specificity of a protein-protein interface – specificity in snake venom metalloproteases (SVMPs)
por: Wallnoefer, Hannes G, et al.
Publicado: (2011)

Improvements in docking scoring functions: the physics-based perspective
por: Barril, Xavier
Publicado: (2012)

CSAlign and CSAlign-Dock: Structure alignment of ligands considering full flexibility and application to protein–ligand docking
por: Kwon, Sohee, et al.
Publicado: (2022)

Development of cannabinoid receptor (CB 2 R) ligands for application in PET studies - where to attach the radiolabel?
por: Günther, Robert, et al.
Publicado: (2014)

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

Imaging angiogenesis in early stages of breast cancer using a standardized radiolabeled adapter protein docked to vascular endothelial growth factor
por: Mandl, S, et al.
Publicado: (2003)

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

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

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

DrugScore(FP): profiling protein-ligand interactions using fingerprint simplicity paired with knowledge-based potential fields
por: Pfeffer, Patrick, et al.
Publicado: (2008)

PSMA ligands for diagnosis and therapy of prostate cancer
por: Haberkorn, Uwe
Publicado: (2014)

Constraint counting on RNA and ribosomal structures: linking flexibility and function
por: Fulle, Simone, et al.
Publicado: (2011)

AutoDockFR: Advances in Protein-Ligand Docking with Explicitly Specified Binding Site Flexibility
por: Ravindranath, Pradeep Anand, et al.
Publicado: (2015)

Understanding the role of Fas-Fas ligand system in bone
por: Marusic, Ana, et al.
Publicado: (2012)

Virtual screening using structure-based consensus pharmacophore models and ensemble docking based on MD-generated conformations
por: Koch, Oliver, et al.
Publicado: (2011)

Design of dual ligands using excessive pharmacophore query alignment
por: Moser, Daniel, et al.
Publicado: (2012)

Development of new in silico methods to identify ligands for orphan GPCR
por: Weill, Nathanael, et al.
Publicado: (2008)

Flexible growing rods: polymer rods provide stability to skeletally immature spines
por: Bylski-Austrow, Donita I, et al.
Publicado: (2015)

ReFlexIn: A Flexible Receptor Protein-Ligand Docking Scheme Evaluated on HIV-1 Protease
por: Leis, Simon, et al.
Publicado: (2012)

Fully Flexible Docking of Medium Sized Ligand Libraries with RosettaLigand
por: DeLuca, Samuel, et al.
Publicado: (2015)

Molecular simulation grid
por: Krüger, Jens, et al.
Publicado: (2011)

Simulating “soft” electronics
por: Clark, Tim
Publicado: (2014)

The tumor microenvironment: the involvement of the selectin-selectin-ligand axis in tumor-endothelium interactions
por: Witz, Isaac P
Publicado: (2006)

Optimization and antiviral analysis of peptide ligands for the HIV-1 packaging signal PSI
por: Dietz, Julia, et al.
Publicado: (2006)

PPARγ ligands inhibit catabolic and inflammatory responses in articular joint cells
por: Fahmi, H, et al.
Publicado: (2003)

Receptor guanylyl cyclases in mammalian olfaction: from genes to function
por: Zufall, Frank
Publicado: (2009)

Universal brace simulation platform
por: Śliwiński, Grzegorz, et al.
Publicado: (2014)

Curve flexibility assessment on AIS surgical candidates using ultrasonic imaging method - a preliminary study
por: Lou, Edmond, et al.
Publicado: (2015)

Evaluation of the novel algorithm of flexible ligand docking with moveable target-protein atoms
por: Sulimov, Alexey V., et al.
Publicado: (2017)

Interactive molecular dynamics in virtual reality for accurate flexible protein-ligand docking
por: Deeks, Helen M., et al.
Publicado: (2020)

Ligand based lead generation - considering chemical accessibility in rescaffolding approaches via BROOD
por: Wang, Li-hsing, et al.
Publicado: (2012)

OA011-05. TLR-mediated pDC responses to HIV-1 ligands
por: Chang, J, et al.
Publicado: (2009)

AQDnet: Deep Neural Network for Protein–Ligand Docking Simulation
por: Shiota, Koji, et al.
Publicado: (2023)

Analysis and visual summarization of molecular dynamics simulation
por: Devadoss, Fredrick Robin, et al.
Publicado: (2014)

Cannot write session to /tmp/vufind_sessions/sess_8jqsiqssvl53941fvtdm1eshmg