Cargando…

Rescoring of docking poses using force field-based methods

Detalles Bibliográficos
Autores principales:	Fischer, Nina M, Schneider, WM, Kohlbacher, O
Formato:	Texto
Lenguaje:	English
Publicado:	BioMed Central 2010
Materias:	Poster Presentation
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2867188/ http://dx.doi.org/10.1186/1758-2946-2-S1-P52

Ejemplares similares

Evaluation of CONSRANK-Like Scoring Functions for Rescoring Ensembles of Protein–Protein Docking Poses
por: Launay, Guillaume, et al.
Publicado: (2020)

Improving Docking Performance Using Negative Image-Based Rescoring
por: Kurkinen, Sami T., et al.
Publicado: (2018)

Getting Docking into Shape Using Negative Image-Based Rescoring
por: Kurkinen, Sami T., et al.
Publicado: (2019)

Ligand-Enhanced Negative Images Optimized for Docking Rescoring
por: Kurkinen, Sami T., et al.
Publicado: (2022)

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

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

An Efficient Implementation of the Nwat-MMGBSA Method to Rescore Docking Results in Medium-Throughput Virtual Screenings
por: Maffucci, Irene, et al.
Publicado: (2018)

MS(2)Rescore: Data-Driven Rescoring Dramatically Boosts Immunopeptide Identification Rates
por: Declercq, Arthur, et al.
Publicado: (2022)

Refinement and Rescoring of Virtual Screening Results
por: Rastelli, Giulio, et al.
Publicado: (2019)

A Comprehensive Docking and MM/GBSA Rescoring Study of Ligand Recognition upon Binding Antithrombin
por: Zhang, Xiaohua, et al.
Publicado: (2017)

Parameterization to NDDO-based polarizable force field
por: Thomas, Heike, et al.
Publicado: (2014)

PeptoGrid—Rescoring Function for AutoDock Vina to Identify New Bioactive Molecules from Short Peptide Libraries
por: Zalevsky, Arthur O., et al.
Publicado: (2019)

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

Vorescore—fold recognition improved by rescoring of protein structure models
por: Csaba, Gergely, et al.
Publicado: (2010)

PoseView -- molecular interaction patterns at a glance
por: Stierand, Katrin, 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)

Modeling of substrates sorption into acetylcholinesterase and butyrylcholinesterase active sites using molecular docking method
por: Belinskaya, Daria, et al.
Publicado: (2008)

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

Rescoring the NIH Chronic Prostatitis Symptom Index (NIH-CPSI): Nothing New
por: Clemens, J. Quentin, et al.
Publicado: (2009)

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

A new method in docking for rotatable OH bonds of amino acids in active sites
por: Rumpl, Angela, et al.
Publicado: (2008)

Comparison of ATP binding sites using structure-based similarity methods and molecular interaction fields
por: Dreher, J, et al.
Publicado: (2011)

A rare case of pityriasis amiantacea of the scalp posing differential diagnosis challenges to fungal skin infections
por: Georgescu, Simona-Roxana, et al.
Publicado: (2013)

Rescoring and Linearly Combining: A Highly Effective Consensus Strategy for Virtual Screening Campaigns
por: Pedretti, Alessandro, et al.
Publicado: (2019)

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

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

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

In vitro muscle contraction force measurements on isolated and entire rat diaphragms
por: Armbruster, C, et al.
Publicado: (2010)

Ligand Pose and Orientational Sampling in Molecular Docking
por: Coleman, Ryan G., et al.
Publicado: (2013)

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

Fragment docking supported by NMR shift perturbations
por: Brink, Tim ten, et al.
Publicado: (2014)

Estimating Ground Reaction Forces from Two-Dimensional Pose Data: A Biomechanics-Based Comparison of AlphaPose, BlazePose, and OpenPose
por: Mundt, Marion, et al.
Publicado: (2022)

A new in vitro model for force measurements at the isolated entire rat diaphragm
por: Armbruster, C, et al.
Publicado: (2009)

Deterministic clustering of the available chemical space
por: Thiel, Philipp, et al.
Publicado: (2013)

Docking based 3D-QSAR studies applied at the BRAF inhibitors to understand the binding mechanism
por: Mahmood, Uzma, et al.
Publicado: (2012)

Development of target focused library against drug target of P. falciparum using SVM and Molecular docking
por: Subramaniam, Sangeetha, et al.
Publicado: (2012)

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

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)

Cannot write session to /tmp/vufind_sessions/sess_72ucho0hjcd6tb2g44872jqjfu