Evaluation of 11 scoring functions performance on matrix metalloproteinases

scientific article published on 25 December 2014

Evaluation of 11 scoring functions performance on matrix metalloproteinases is …
instance of (P31):
scholarly articleQ13442814

External links are
P356DOI10.1155/2014/162150
P8608Fatcat IDrelease_x7nwnvxmtrcrlkgkir3ajnry5i
P932PMC publication ID4291136
P698PubMed publication ID25610645
P5875ResearchGate publication ID271222014

P2093author name stringJamal Shamsara
P2860cites workA fast flexible docking method using an incremental construction algorithm.Q52298930
Empirical scoring functions: I. The development of a fast empirical scoring function to estimate the binding affinity of ligands in receptor complexes.Q53678858
Automated docking with grid-based energy evaluationQ56005218
DSX: a knowledge-based scoring function for the assessment of protein-ligand complexesQ84816082
Open Babel: An open chemical toolboxQ21198766
AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreadingQ27860652
Development and validation of a genetic algorithm for flexible dockingQ28236574
ChEMBL: a large-scale bioactivity database for drug discoveryQ28315179
Application of consensus scoring and principal component analysis for virtual screening against β-secretase (BACE-1)Q28484175
AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibilityQ29547658
A semiempirical free energy force field with charge-based desolvationQ29614316
ROCR: visualizing classifier performance in RQ29615821
How does consensus scoring work for virtual library screening? An idealized computer experimentQ31017163
Further development and validation of empirical scoring functions for structure-based binding affinity predictionQ34526566
Extensive consensus docking evaluation for ligand pose prediction and virtual screening studiesQ35248274
Statistical potential for modeling and ranking of protein-ligand interactionsQ35635713
Matrix metalloproteinase inhibitors as therapy for inflammatory and vascular diseases.Q36836612
Targeted scoring functions for virtual screeningQ37512717
Scoring functions and their evaluation methods for protein-ligand docking: recent advances and future directions.Q37781709
Matrix metalloproteinasesQ38014069
Directory of useful decoys, enhanced (DUD-E): better ligands and decoys for better benchmarkingQ42251037
Consensus docking: improving the reliability of docking in a virtual screening contextQ42988621
Molecular recognition of receptor sites using a genetic algorithm with a description of desolvationQ43987901
Protein and ligand preparation: parameters, protocols, and influence on virtual screening enrichmentsQ44012277
A practical approach to docking of zinc metalloproteinase inhibitorsQ47397132
Comparative assessment of scoring functions on a diverse test set.Q48026800
An extensive test of 14 scoring functions using the PDBbind refined set of 800 protein-ligand complexes.Q51635063
Docking of hydrophobic ligands with interaction-based matching algorithms.Q51646570
A general and fast scoring function for protein-ligand interactions: a simplified potential approach.Q52222006
P275copyright licenseCreative Commons Attribution 3.0 UnportedQ14947546
P6216copyright statuscopyrightedQ50423863
P304page(s)162150
P577publication date2014-12-25
P1433published inInternational journal of medicinal chemistryQ26842202
P1476titleEvaluation of 11 scoring functions performance on matrix metalloproteinases
P478volume2014

Reverse relations

cites work (P2860)
Q88097523ADPredict: ADP-ribosylation site prediction based on physicochemical and structural descriptors
Q50103980An integrated structure- and pharmacophore-based MMP-12 virtual screening.
Q38810939Considering Rotatability of Hydroxyl Groups for the Active Site Residues of MMP-13 in Retrospective Virtual Screening Campaigns
Q55114114Correlation between Virtual Screening Performance and Binding Site Descriptors of Protein Targets.
Q36139212CrossDocker: a tool for performing cross-docking using Autodock Vina
Q27902311vSDC: a method to improve early recognition in virtual screening when limited experimental resources are available

Search more.