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TS ‐Chemscore, a Target‐Specific Scoring Function, Significantly Improves the Performance of Scoring in Virtual Screening

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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/jcc.540040211openalex-snapshot

CHARMM : A program for macromolecular energy, minimization, and dynamics calculations

inferredcites →https://doi.org/10.1002/prot.10465openalex-snapshot

Improved protein–ligand docking using GOLD

inferredcites →https://doi.org/10.1007/978-3-642-00296-0_5openalex-snapshot

Pearson Correlation Coefficient

inferredcites →https://doi.org/10.1007/s00894-002-0112-yopenalex-snapshot

Binding site characteristics in structure-based virtual screening: evaluation of current docking tools

inferredcites →https://doi.org/10.1007/s10059-011-0126-3openalex-snapshot

Plk1-Targeted Small Molecule Inhibitors: Molecular Basis for Their Potency and Specificity

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An integrated scheme for feature selection and parameter setting in the support vector machine modeling and its application to the prediction of pharmacokinetic properties of drugs

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/10.1016/j.drudis.2007.03.011openalex-snapshot

PTP1B as a drug target: recent developments in PTP1B inhibitor discovery

inferredcites →https://doi.org/10.1016/j.drudis.2009.03.013openalex-snapshot

Targeted scoring functions for virtual screening

inferredcites →https://doi.org/10.1021/ci0340916openalex-snapshot

Drug Discovery Using Support Vector Machines. The Case Studies of Drug-likeness, Agrochemical-likeness, and Enzyme Inhibition Predictions

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/ci100182copenalex-snapshot

Knowledge-Based Scoring Functions in Drug Design. 1. Developing a Target-Specific Method for Kinase−Ligand Interactions

inferredcites →https://doi.org/10.1021/ci100257sopenalex-snapshot

PHOENIX: A Scoring Function for Affinity Prediction Derived Using High-Resolution Crystal Structures and Calorimetry Measurements

inferredcites →https://doi.org/10.1021/ci1003009openalex-snapshot

Evaluation of Several Two-Step Scoring Functions Based on Linear Interaction Energy, Effective Ligand Size, and Empirical Pair Potentials for Prediction of Protein–Ligand Binding Geometry and Free Energy

inferredcites →https://doi.org/10.1021/ci100343jopenalex-snapshot

Knowledge-Based Scoring Functions in Drug Design: 2. Can the Knowledge Base Be Enriched?

inferredcites →https://doi.org/10.1021/ci100464bopenalex-snapshot

Discovery of Novel Pim-1 Kinase Inhibitors by a Hierarchical Multistage Virtual Screening Approach Based on SVM Model, Pharmacophore, and Molecular Docking

inferredcites →https://doi.org/10.1021/ci100473dopenalex-snapshot

Global Free Energy Scoring Functions Based on Distance-Dependent Atom-Type Pair Descriptors

inferredcites →https://doi.org/10.1021/ci2000665openalex-snapshot

Ligand Identification Scoring Algorithm (LISA)

inferredcites →https://doi.org/10.1021/ci300493wopenalex-snapshot

ID-Score: A New Empirical Scoring Function Based on a Comprehensive Set of Descriptors Related to Protein–Ligand Interactions

inferredcites →https://doi.org/10.1021/ci400331popenalex-snapshot

Predictions of BuChE Inhibitors Using Support Vector Machine and Naive Bayesian Classification Techniques in Drug Discovery

inferredcites →https://doi.org/10.1021/ci7004548openalex-snapshot

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

inferredcites →https://doi.org/10.1021/ci900056copenalex-snapshot

Comparison of Several Molecular Docking Programs: Pose Prediction and Virtual Screening Accuracy

inferredcites →https://doi.org/10.1021/jm0003992openalex-snapshot

Detailed Analysis of Scoring Functions for Virtual Screening

inferredcites →https://doi.org/10.1021/jm049798dopenalex-snapshot

Comparison of Automated Docking Programs as Virtual Screening Tools

inferredcites →https://doi.org/10.1021/jm050362nopenalex-snapshot

A Critical Assessment of Docking Programs and Scoring Functions

inferredcites →https://doi.org/10.1021/jm060999mopenalex-snapshot

Prediction of Protein−Ligand Interactions. Docking and Scoring: Successes and Gaps

inferredcites →https://doi.org/10.1021/jm0700262openalex-snapshot

Target Specific Virtual Screening: Optimization of an Estrogen Receptor Screening Platform

inferredcites →https://doi.org/10.1021/jm070849ropenalex-snapshot

Substituted Pyrazoles as Hepatoselective HMG-CoA Reductase Inhibitors: Discovery of (3R,5R)-7-[2-(4-Fluoro-phenyl)-4-isopropyl-5-(4-methyl-benzylcarbamoyl)-2H-pyrazol-3-yl]-3,5-dihydroxyheptanoic Acid (PF-3052334) as a Candidate for the Treatment of Hypercholesterolemia

inferredcites →https://doi.org/10.1021/jm200022gopenalex-snapshot

Utilization of Nitrophenylphosphates and Oxime-Based Ligation for the Development of Nanomolar Affinity Inhibitors of the Yersinia pestis Outer Protein H (YopH) Phosphatase

inferredcites →https://doi.org/10.1023/a:1007996124545openalex-snapshot

Empirical scoring functions: I. The development of a fast empirical scoring function to estimate the binding affinity of ligands in receptor complexes

inferredcites →https://doi.org/10.1023/a:1008109717641openalex-snapshot

Simple knowledge-based descriptors to predict protein-ligand interactions. Methodology and validation

inferredcites →https://doi.org/10.1023/a:1009715923555openalex-snapshot

A Tutorial on Support Vector Machines for Pattern Recognition

inferredcites →https://doi.org/10.1038/377065a0openalex-snapshot

Mutations of Jak-3 gene in patients with autosomal severe combined immune deficiency (SCID)

inferredcites →https://doi.org/10.1038/leu.2013.309openalex-snapshot

Inhibition of JAK3 with a novel, selective and orally active small molecule induces therapeutic response in T-cell malignancies

inferredcites →https://doi.org/10.1038/nature07101openalex-snapshot

Structure of a β1-adrenergic G-protein-coupled receptor

inferredcites →https://doi.org/10.1038/nrc2812openalex-snapshot

PARP inhibition: PARP1 and beyond

inferredcites →https://doi.org/10.1038/nrc2887openalex-snapshot

Targeting the dynamic HSP90 complex in cancer

inferredcites →https://doi.org/10.1038/nrclinonc.2012.71openalex-snapshot

MET: a promising anticancer therapeutic target

inferredcites →https://doi.org/10.1038/nrd1549openalex-snapshot

Docking and scoring in virtual screening for drug discovery: methods and applications

inferredcites →https://doi.org/10.1038/nrd1660openalex-snapshot

Integrase inhibitors to treat HIV/Aids

inferredcites →https://doi.org/10.1038/nrd1983openalex-snapshot

Adenosine receptors as therapeutic targets

inferredcites →https://doi.org/10.1039/c0cp00151aopenalex-snapshot

Scoring functions and their evaluation methods for protein–ligand docking: recent advances and future directions

inferredcites →https://doi.org/10.1073/pnas.0812657106openalex-snapshot

Structure-based discovery of β 2 -adrenergic receptor ligands

inferredcites →https://doi.org/10.1073/pnas.251194298openalex-snapshot

SP600125, an anthrapyrazolone inhibitor of Jun N-terminal kinase

inferredcites →https://doi.org/10.1080/00401706.1999.10485951openalex-snapshot

Statistical Learning Theory

inferredcites →https://doi.org/10.1111/j.1747-0285.2010.00996.xopenalex-snapshot

Derivatives of Salicylic Acid as Inhibitors of YopH in Yersinia pestis

inferredcites →https://doi.org/10.1146/annurev-physiol-030212-183656openalex-snapshot

The Androgen Receptor in Health and Disease

inferredcites →https://doi.org/10.2174/092986712803988866openalex-snapshot

Yersinia pestis and Approaches to Targeting its Outer Protein H Protein-Tyrosine Phosphatase (YopH)

inferredcites →https://doi.org/10.2174/138920307781369382openalex-snapshot

Structure-Based Drug Design: Docking and Scoring

inferredcites →https://doi.org/10.2307/1412159openalex-snapshot

The Proof and Measurement of Association between Two Things

inferredcites →https://doi.org/10.7150/thno.4835openalex-snapshot

Molecular Imaging of Chemokine Receptor CXCR4

What points at this work

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

inferred← citeshttps://doi.org/10.1002/minf.201800030openalex-snapshot

Machine Learning Classification Models to Improve the Docking‐based Screening: A Case of PI3K‐Tankyrase Inhibitors

inferred← citeshttps://doi.org/10.1002/minf.202200034openalex-snapshot

Towards an Enrichment Optimization Algorithm (EOA)‐based Target Specific Docking Functions for Virtual Screening

inferred← citeshttps://doi.org/10.1016/j.bbrc.2017.03.107openalex-snapshot

Discovering key residues of dengue virus NS2b-NS3-protease: New binding sites for antiviral inhibitors design

inferred← citeshttps://doi.org/10.1016/j.cbpa.2018.06.006openalex-snapshot

Improving small molecule virtual screening strategies for the next generation of therapeutics

inferred← citeshttps://doi.org/10.1016/j.ejmech.2022.114101openalex-snapshot

Identification of novel xanthine oxidase inhibitors via virtual screening with enhanced characterization of molybdopterin binding groups

inferred← citeshttps://doi.org/10.1021/acs.jcim.6b00714openalex-snapshot

Discovery of New SIRT2 Inhibitors by Utilizing a Consensus Docking/Scoring Strategy and Structure–Activity Relationship Analysis

inferred← citeshttps://doi.org/10.1021/acsbiomedchemau.6c00095openalex-snapshot

Structural and Combinatorial Design Principles of Emerging Drug Carriers

inferred← citeshttps://doi.org/10.1038/s41598-021-82410-1openalex-snapshot

New machine learning and physics-based scoring functions for drug discovery

inferred← citeshttps://doi.org/10.1039/d3ra01761copenalex-snapshot

Exploring the therapeutic mechanisms of Gleditsiae Spina acting on pancreatic cancer via network pharmacology, molecular docking and molecular dynamics simulation

inferred← citeshttps://doi.org/10.1080/07391102.2023.2245047openalex-snapshot

Sanggenol B, a plant bioactive, as a safer alternative to tackle cancer by antagonising human FGFR

inferred← citeshttps://doi.org/10.1111/cbdd.12629openalex-snapshot

Coumarin: A Privileged Scaffold for the Design and Development of Antineurodegenerative Agents

inferred← citeshttps://doi.org/10.1111/cbdd.12700openalex-snapshot

Molecular Modeling on Berberine Derivatives toward BuChE: An Integrated Study with Quantitative Structure–Activity Relationships Models, Molecular Docking, and Molecular Dynamics Simulations

inferred← citeshttps://doi.org/10.17586/2226-1494-2026-26-4-683-694openalex-snapshot

Scoring functions of protein molecular docking models in automated systems for processing and analyzing bioinformatics data

inferred← citeshttps://doi.org/10.2174/1574893614666191003125540openalex-snapshot

Docking Techniques in Toxicology: An Overview

inferred← citeshttps://doi.org/10.3389/fphar.2019.00924openalex-snapshot

Improving the Virtual Screening Ability of Target-Specific Scoring Functions Using Deep Learning Methods

inferred← citeshttps://doi.org/10.3390/molecules29051096openalex-snapshot

Discovery of Novel Metalloenzyme Inhibitors Based on Property Characterization: Strategy and Application for HDAC1 Inhibitors

inferred← citeshttps://doi.org/10.5935/abc.20180108openalex-snapshot

Pioglitazone Induces Cardiomyocyte Apoptosis and Inhibits Cardiomyocyte Hypertrophy Via VEGFR-2 Signaling Pathway

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