Fpocket: an open source platform for ligand pocket detection. - Test2 - elhamkhani - TriplyDB

Fpocket: an open source platform for ligand pocket detection.

Fpocket: an open source platform for ligand pocket detection.

http://www.wikidata.org/entity/Q33457742

about

Computational identification of a transiently open L1/S3 pocket for reactivation of mutant p53 Comparative Genomics Uncovers Unique Gene Turnover and Evolutionary Rates in a Gene Family Involved in the Detection of Insect Cuticular Pheromones MAP_CHANNELS: a computation tool to aid in the visualization and characterization of solvent channels in macromolecular crystals.Computational Screening of the Human TF-Glycome Provides a Structural Definition for the Specificity of Anti-Tumor Antibody JAA-F11 Structural Basis for Highly Effective HIV-1 Neutralization by CD4-Mimetic Miniproteins Revealed by 1.5 Å Cocrystal Structure of gp120 and M48U1 P450cin Active Site Water: Implications for Substrate Binding and Solvent Accessibility Structure of the prolyl-acyl carrier protein oxidase involved in the biosynthesis of the cyanotoxin anatoxin-a Structural basis of malaria parasite lysyl-tRNA synthetase inhibition by cladosporin Improving protein-ligand binding site prediction accuracy by classification of inner pocket points using local features The conformational stability and biophysical properties of the eukaryotic thioredoxins of Pisum sativum are not family-conserved Mutation D816V alters the internal structure and dynamics of c-KIT receptor cytoplasmic region: implications for dimerization and activation mechanisms Homology modeling of dopamine D2 and D3 receptors: molecular dynamics refinement and docking evaluation Molecular mechanism for the dual alcohol modulation of Cys-loop receptors GOMoDo: A GPCRs online modeling and docking webserver Knowledge-based fragment binding prediction Structure of mycobacterial maltokinase, the missing link in the essential GlgE-pathway Selectivity by small-molecule inhibitors of protein interactions can be driven by protein surface fluctuations To Hit or Not to Hit, That Is the Question - Genome-wide Structure-Based Druggability Predictions for Pseudomonas aeruginosa Proteins How Intrinsic Molecular Dynamics Control Intramolecular Communication in Signal Transducers and Activators of Transcription Factor STAT5 Access Path to the Ligand Binding Pocket May Play a Role in Xenobiotics Selection by AhR Isofunctional Protein Subfamily Detection Using Data Integration and Spectral Clustering Predicting Ligand Binding Sites on Protein Surfaces by 3-Dimensional Probability Density Distributions of Interacting Atoms Functional loop dynamics of the streptavidin-biotin complex Emerging Computational Methods for the Rational Discovery of Allosteric Drugs.TuberQ: a Mycobacterium tuberculosis protein druggability database PockDrug-Server: a new web server for predicting pocket druggability on holo and apo proteins.Addressing the Role of Conformational Diversity in Protein Structure Prediction HotSpot Wizard 2.0: automated design of site-specific mutations and smart libraries in protein engineering.Probing the minimal determinants of zinc binding with computational protein design Exploration of the conformational landscape in pregnane X receptor reveals a new binding pocket Predicting Protein Dynamics and Allostery Using Multi-Protein Atomic Distance Constraints.Investigating the Importance of the Pocket-estimation Method in Pocket-based Approaches: An Illustration Using Pocket-ligand Classification.Exploring the binding properties and structural stability of an opsin in the chytrid Spizellomyces punctatus using comparative and molecular modeling.DEPTH: a web server to compute depth and predict small-molecule binding cavities in proteins Large-scale reverse docking profiles and their applications.DNA marker applications to molecular genetics and genomics in tomato.Flexibility and binding affinity in protein-ligand, protein-protein and multi-component protein interactions: limitations of current computational approaches.Zearalenone lactonohydrolase activity in Hypocreales and its evolutionary relationships within the epoxide hydrolase subset of a/b-hydrolases.A novel and efficient tool for locating and characterizing protein cavities and binding sites.Probing protein flexibility reveals a mechanism for selective promiscuity.

P2860

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P2860

Fpocket: an open source platform for ligand pocket detection.

http://www.wikidata.org/entity/Q33457742

description

2009 nî lūn-bûn

@nan

2009 թուականի Յունիսին հրատարակուած գիտական յօդուած

@hyw

2009 թվականի հունիսին հրատարակված գիտական հոդված

@hy

2009年の論文

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2009年論文

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2009年論文

@zh-hant

2009年論文

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2009年論文

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2009年論文

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2009年论文

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name

Fpocket: an open source platform for ligand pocket detection.

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Fpocket: an open source platform for ligand pocket detection.

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type

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Fpocket: an open source platform for ligand pocket detection.

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Fpocket: an open source platform for ligand pocket detection.

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prefLabel

Fpocket: an open source platform for ligand pocket detection.

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Fpocket: an open source platform for ligand pocket detection.

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BMC Bioinformatics

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Fpocket: an open source platform for ligand pocket detection

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Peter Schmidtke

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Vincent Le Guilloux

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P2860

Flexible ligand docking to multiple receptor conformations: a practical alternative

Detection, delineation, measurement and display of cavities in macromolecular structures

CASTp: computed atlas of surface topography of proteins with structural and topographical mapping of functionally annotated residues

SURFNET: a program for visualizing molecular surfaces, cavities, and intermolecular interactions

POCKET: a computer graphics method for identifying and displaying protein cavities and their surrounding amino acids.

Comprehensive identification of "druggable" protein ligand binding sites.

Pocketome via comprehensive identification and classification of ligand binding envelopes.

A robust and efficient algorithm for the shape description of protein structures and its application in predicting ligand binding sites

PocketPicker: analysis of ligand binding-sites with shape descriptors.

Strategies and tactics for optimizing the Hit-to-Lead process and beyond--a computational chemistry perspective.

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open-source software

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