Fragment-Based Ligand-Protein Contact Statistics: Application to Docking Simulations.

scientific article published on 21 May 2019

Fragment-Based Ligand-Protein Contact Statistics: Application to Docking Simulations. is …
instance of (P31):
scholarly articleQ13442814

External links are
P356DOI10.3390/IJMS20102499
P932PMC publication ID6567162
P698PubMed publication ID31117183

P50authorDaniele TotiQ61092671
Gabriele MacariQ92218755
Fabio PolticelliQ47360715
P2093author name stringCarlo Del Moro
P2860cites workOn the art of compiling and using 'drug-like' chemical fragment spaces.Q51869169
Molecular DockingQ57976073
A new method for mapping macromolecular topographyQ78834328
Use of amino acid composition to predict ligand-binding sitesQ79627416
The Protein Data BankQ24515306
An overview of the structures of protein-DNA complexesQ24804125
AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreadingQ27860652
Principles of protein-protein interactionsQ27860855
SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rulesQ28090714
Surflex: fully automatic flexible molecular docking using a molecular similarity-based search engineQ28207735
Development and validation of a genetic algorithm for flexible dockingQ28236574
Glide: a new approach for rapid, accurate docking and scoring. 1. Method and assessment of docking accuracyQ28251042
Cd-hit: a fast program for clustering and comparing large sets of protein or nucleotide sequencesQ29547172
UniProt: a hub for protein informationQ29547457
AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibilityQ29547658
Extended-connectivity fingerprintsQ29616639
PDB-wide collection of binding data: current status of the PDBbind databaseQ30858984
RECAP--retrosynthetic combinatorial analysis procedure: a powerful new technique for identifying privileged molecular fragments with useful applications in combinatorial chemistryQ32062075
Comparative assessment of scoring functions on an updated benchmark: 2. Evaluation methods and general resultsQ34414010
Principles governing Mg, Ca, and Zn binding and selectivity in proteins.Q35083544
LIBRA: LIgand Binding site Recognition Application.Q35758197
Better Informed Distance Geometry: Using What We Know To Improve Conformation GenerationQ35843566
BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactionsQ36491539
Software for molecular docking: a review.Q39310583
Improving the performance of the PLB index for ligand-binding site prediction using dihedral angles and the solvent-accessible surface areaQ41073115
Directory of useful decoys, enhanced (DUD-E): better ligands and decoys for better benchmarkingQ42251037
LIBRA-WA: a web application for ligand binding site detection and protein function recognitionQ47360656
P275copyright licenseCreative Commons Attribution 4.0 InternationalQ20007257
P6216copyright statuscopyrightedQ50423863
P433issue10
P407language of work or nameEnglishQ1860
P577publication date2019-05-21
P1433published inInternational Journal of Molecular SciencesQ3153277
P1476titleFragment-Based Ligand-Protein Contact Statistics: Application to Docking Simulations
P478volume20

Search more.