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AutoShim: Empirically Corrected Scoring Functions for Quantitative Docking with a Crystal Structure and IC50 Training Data

https://doi.org/10.1021/ci7004548
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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

inferredcites →https://doi.org/10.1002/(sici)1099-128x(199701)11:1<73::aid-cem435>3.0.co;2-#openalex-snapshot
Improved PLS algorithms
inferredcites →https://doi.org/10.1002/jcc.20504openalex-snapshot
An iterative knowledge‐based scoring function to predict protein–ligand interactions: I. Derivation of interaction potentials
inferredcites →https://doi.org/10.1002/jcc.20505openalex-snapshot
An iterative knowledge‐based scoring function to predict protein–ligand interactions: II. Validation of the scoring function
inferredcites →https://doi.org/10.1002/prot.10465openalex-snapshot
Improved protein–ligand docking using GOLD
inferredcites →https://doi.org/10.1002/qsar.200610091openalex-snapshot
Scaffold‐Hopping: How Far Can You Jump?
inferredcites →https://doi.org/10.1007/s10822-007-9122-2openalex-snapshot
Understanding hERG inhibition with QSAR models based on a one-dimensional molecular representation
inferredcites →https://doi.org/10.1016/0022-2836(82)90153-xopenalex-snapshot
A geometric approach to macromolecule-ligand interactions
inferredcites →https://doi.org/10.1016/j.bbapap.2003.11.028openalex-snapshot
Kinomics—structural biology and chemogenomics of kinase inhibitors and targets
inferredcites →https://doi.org/10.1016/j.cbpa.2004.06.002openalex-snapshot
Target-biased scoring approaches and expert systems in structure-based virtual screening
inferredcites →https://doi.org/10.1021/ci0340714openalex-snapshot
Quantitative Structure-Based Design: Formalism and Application of Receptor-Dependent RD-4D-QSAR Analysis to a Set of Glucose Analogue Inhibitors of Glycogen Phosphorylase
inferredcites →https://doi.org/10.1021/ci050036gopenalex-snapshot
POEM: Parameter Optimization Using Ensemble Methods: Application to Target Specific Scoring Functions
inferredcites →https://doi.org/10.1021/ci0503255openalex-snapshot
On Evaluating Molecular-Docking Methods for Pose Prediction and Enrichment Factors
inferredcites →https://doi.org/10.1021/ci600460hopenalex-snapshot
Comments on the Article “On Evaluating Molecular-Docking Methods for Pose Prediction and Enrichment Factors”
inferredcites →https://doi.org/10.1021/ci6004993openalex-snapshot
Supervised Consensus Scoring for Docking and Virtual Screening
inferredcites →https://doi.org/10.1021/jm00014a020openalex-snapshot
Prediction of Drug Binding Affinities by Comparative Binding Energy Analysis
inferredcites →https://doi.org/10.1021/jm00041a010openalex-snapshot
Compass: Predicting Biological Activities from Molecular Surface Properties. Performance Comparisons on a Steroid Benchmark
inferredcites →https://doi.org/10.1021/jm00145a002openalex-snapshot
A computational procedure for determining energetically favorable binding sites on biologically important macromolecules
inferredcites →https://doi.org/10.1021/jm0203783openalex-snapshot
Comparative Evaluation of 11 Scoring Functions for Molecular Docking
inferredcites →https://doi.org/10.1021/jm030331xopenalex-snapshot
Structural Interaction Fingerprint (SIFt): A Novel Method for Analyzing Three-Dimensional Protein−Ligand Binding Interactions
inferredcites →https://doi.org/10.1021/jm050362nopenalex-snapshot
A Critical Assessment of Docking Programs and Scoring Functions
inferredcites →https://doi.org/10.1021/jm9602928openalex-snapshot
The Properties of Known Drugs. 1. Molecular Frameworks
inferredcites →https://doi.org/10.1021/jm990352kopenalex-snapshot
Consensus Scoring: A Method for Obtaining Improved Hit Rates from Docking Databases of Three-Dimensional Structures into Proteins
inferredcites →https://doi.org/10.1021/jm990609eopenalex-snapshot
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inferredcites →https://doi.org/10.1023/a:1007907728892openalex-snapshot
QXP: Powerful, rapid computer algorithms for structure-based drug design
inferredcites →https://doi.org/10.1093/protein/7.3.385openalex-snapshot
A new method for predicting binding affinity in computer-aided drug design
inferredcites →https://doi.org/10.1201/9781315139470openalex-snapshot
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inferredcites →https://doi.org/10.2174/1389557043487367openalex-snapshot
Kinase Chemogenomics: Targeting the Human Kinome for Target Validation and Drug Discovery
inferredcites →https://doi.org/10.2174/1570163043484815openalex-snapshot
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inferredcites →https://doi.org/10.2307/1169484openalex-snapshot
Multivariate Analysis

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

inferred← citeshttps://doi.org/10.1002/9783527633326.ch7openalex-snapshot
The Challenge of Affinity Prediction: Scoring Functions for Structure‐Based Virtual Screening
inferred← citeshttps://doi.org/10.1002/aaai.12037openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/chin.200829212openalex-snapshot
ChemInform Abstract: AutoShim: Empirically Corrected Scoring Functions for Quantitative Docking with a Crystal Structure and IC50 Training Data.
inferred← citeshttps://doi.org/10.1002/cmdc.201600636openalex-snapshot
Structure‐Based Target‐Specific Screening Leads to Small‐Molecule CaMKII Inhibitors
inferred← citeshttps://doi.org/10.1002/minf.201300091openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/978-1-60761-274-2_12openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/s10822-009-9276-1openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/s10822-013-9646-6openalex-snapshot
Cheminformatics aspects of high throughput screening: from robots to models: symposium summary
inferred← citeshttps://doi.org/10.1007/s10822-013-9670-6openalex-snapshot
Experimental versus predicted affinities for ligand binding to estrogen receptor: iterative selection and rescoring of docked poses systematically improves the correlation
inferred← citeshttps://doi.org/10.1007/s10822-018-0139-5openalex-snapshot
Hybrid receptor structure/ligand-based docking and activity prediction in ICM: development and evaluation in D3R Grand Challenge 3
inferred← citeshttps://doi.org/10.1007/s10822-019-00225-9openalex-snapshot
Macrocycle modeling in ICM: benchmarking and evaluation in D3R Grand Challenge 4
inferred← citeshttps://doi.org/10.1016/b978-0-12-822312-3.00004-7openalex-snapshot
Post-processing of Docking Results: Tools and Strategies
inferred← citeshttps://doi.org/10.1016/bs.armc.2022.08.008openalex-snapshot
Can docking scoring functions guarantee success in virtual screening?
inferred← citeshttps://doi.org/10.1016/j.cbpa.2011.02.021openalex-snapshot
The role of computational methods in the identification of bioactive compounds
inferred← citeshttps://doi.org/10.1016/j.clinthera.2013.08.005openalex-snapshot
Discovery of Novel Drugs for Promising Targets
inferred← citeshttps://doi.org/10.1016/j.drudis.2009.03.013openalex-snapshot
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inferred← citeshttps://doi.org/10.1021/acs.jcim.7b00166openalex-snapshot
Profile-QSAR 2.0: Kinase Virtual Screening Accuracy Comparable to Four-Concentration IC50s for Realistically Novel Compounds
inferred← citeshttps://doi.org/10.1021/acs.jcim.7b00418openalex-snapshot
Predictive Power of Different Types of Experimental Restraints in Small Molecule Docking: A Review
inferred← citeshttps://doi.org/10.1021/acs.jcim.9b01155openalex-snapshot
Biased Diversity for Effective Virtual Screening
inferred← citeshttps://doi.org/10.1021/ci100182copenalex-snapshot
Knowledge-Based Scoring Functions in Drug Design. 1. Developing a Target-Specific Method for Kinase−Ligand Interactions
inferred← citeshttps://doi.org/10.1021/ci1005004openalex-snapshot
Profile-QSAR: A Novel meta-QSAR Method that Combines Activities across the Kinase Family To Accurately Predict Affinity, Selectivity, and Cellular Activity
inferred← citeshttps://doi.org/10.1021/ci200234popenalex-snapshot
Development of a Minimal Kinase Ensemble Receptor (MKER) for Surrogate AutoShim
inferred← citeshttps://doi.org/10.1021/ci200314jopenalex-snapshot
Kinase-Kernel Models: Accurate In silico Screening of 4 Million Compounds Across the Entire Human Kinome
inferred← citeshttps://doi.org/10.1021/ci300059dopenalex-snapshot
Profile-QSAR and Surrogate AutoShim Protein-Family Modeling of Proteases
inferred← citeshttps://doi.org/10.1021/ci900283jopenalex-snapshot
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inferred← citeshttps://doi.org/10.1111/cbdd.12470openalex-snapshot
TS ‐Chemscore, a Target‐Specific Scoring Function, Significantly Improves the Performance of Scoring in Virtual Screening
inferred← citeshttps://doi.org/10.1186/1471-2105-11-193openalex-snapshot
A knowledge-guided strategy for improving the accuracy of scoring functions in binding affinity prediction
inferred← citeshttps://doi.org/10.1186/1758-2946-1-6openalex-snapshot
Combining docking with pharmacophore filtering for improved virtual screening
inferred← citeshttps://doi.org/10.1208/s12248-012-9322-0openalex-snapshot
Structure-Based Virtual Screening for Drug Discovery: a Problem-Centric Review
inferred← citeshttps://doi.org/10.1517/17460441.2011.560604openalex-snapshot
The 18th European Symposium on Quantitative Structure–Activity Relationships
inferred← citeshttps://doi.org/10.4155/9781909453012openalex-snapshot
In Silico Drug Discovery and Design
inferred← citeshttps://doi.org/10.4155/ebo.13.240openalex-snapshot
Receptor-dependent QSAR methods
inferred← citeshttps://doi.org/10.4155/fmc.11.15openalex-snapshot
Recent Trends and Observations in the Design of High-Quality Screening Collections
inferred← citeshttps://doi.org/10.5012/bkcs.2013.34.9.2680openalex-snapshot
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