Structure-based design of small-molecule protein-protein interaction modulators: the story so far. (Q35103944)

6 August 2017

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title

Structure-based design of small-molecule protein-protein interaction modulators: the story so far. (English)

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protein-protein interaction

6 August 2017

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1 reference

1

Federico Falchi

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6 August 2017

Fabiana Caporuscio

2

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PubMed ID

24575969

6 August 2017

Maurizio Recanatini

series ordinal

3

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6 August 2017

1 March 2014

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Future Medicinal Chemistry

6 August 2017

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6 August 2017

6

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6 August 2017

3

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6 August 2017

343-357

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Drugs targeting protein-protein interactions

6 August 2017

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Targeting protein-protein interactions for therapeutic intervention: a challenge for the future.

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Trp/Met/Phe hot spots in protein-protein interactions: potential targets in drug design

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Anatomy of hot spots in protein interfaces

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Unraveling hot spots in binding interfaces: progress and challenges

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Protein-protein interactions: structurally conserved residues distinguish between binding sites and exposed protein surfaces

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ANCHOR: a web server and database for analysis of protein-protein interaction binding pockets for drug discovery

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Enabling large-scale design, synthesis and validation of small molecule protein-protein antagonists

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Small-molecule inhibitor starting points learned from protein-protein interaction inhibitor structure

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Small-molecule inhibitors of protein-protein interactions: progressing towards the dream

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ClusPro: a fully automated algorithm for protein-protein docking

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Development and testing of an automated approach to protein docking.

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PIPER: an FFT-based protein docking program with pairwise potentials.

21 January 2018

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3D-Garden: a system for modelling protein-protein complexes based on conformational refinement of ensembles generated with the marching cubes algorithm.

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The RosettaDock server for local protein-protein docking

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FRODOCK: a new approach for fast rotational protein-protein docking

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DOT2: Macromolecular docking with improved biophysical models.

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Fast prediction and visualization of protein binding pockets with PASS.

21 January 2018

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Q-SiteFinder: an energy-based method for the prediction of protein-ligand binding sites.

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

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Identification of hot spots within druggable binding regions by computational solvent mapping of proteins.

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HotPatch: a statistical approach to finding biologically relevant features on protein surfaces

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

21 January 2018

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PocketDepth: a new depth based algorithm for identification of ligand binding sites in proteins.

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New method for the assessment of all drug-like pockets across a structural genome

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EasyMIFS and SiteHound: a toolkit for the identification of ligand-binding sites in protein structures.

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MetaPocket: a meta approach to improve protein ligand binding site prediction.

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Fpocket: an open source platform for ligand pocket detection.

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PCRPi: Presaging Critical Residues in Protein interfaces, a new computational tool to chart hot spots in protein interfaces

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A novel and efficient tool for locating and characterizing protein cavities and binding sites

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fPOP: footprinting functional pockets of proteins by comparative spatial patterns

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Context-based identification of protein-protein interfaces and "hot-spot" residues.

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Predictions of hot spot residues at protein-protein interfaces using support vector machines.

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FunFOLD: an improved automated method for the prediction of ligand binding residues using 3D models of proteins

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DEPTH: a web server to compute depth and predict small-molecule binding cavities in proteins

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PocketQuery: protein-protein interaction inhibitor starting points from protein-protein interaction structure

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Features of protein-protein interactions that translate into potent inhibitors: topology, surface area and affinity

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LigandScout: 3-D pharmacophores derived from protein-bound ligands and their use as virtual screening filters

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Flexibility and binding affinity in protein-ligand, protein-protein and multi-component protein interactions: limitations of current computational approaches.

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Novel procedure for modeling ligand/receptor induced fit effects.

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21 January 2018

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Molecular mechanics and dynamics: numerical tools to sample the configuration space

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Femtosecond X-ray protein nanocrystallography

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21 January 2018

Identifiers

DOI

10.4155/FMC.13.204

1 reference

release_l3f2j5wbfngb7lfcjjvucx7oo4

6 August 2017

1 reference

Fatcat

https://api.fatcat.wiki/v0/release/l3f2j5wbfngb7lfcjjvucx7oo4

mapped directly with Wikidata item

24 November 2022

based on heuristic

PubMed ID

24575969

1 reference

PubMed ID

24575969