On the public citation graph

Surrogate AutoShim: Predocking into a Universal Ensemble Kinase Receptor for Three Dimensional Activity Prediction, Very Quickly, without a Crystal Structure

0 signed · 41 inferred · view as graph

Inferred edges come from two machine sources: sweeps of open repository metadata (mostly SSRN and Zenodo), and a bulk OpenAlex citation snapshot. Every row below is labelled with the one it came from. Neither is a complete citation index — absence here is not evidence of absence.

Is this your work? Sign in with ORCID and put your name on the claims that are yours.

Claim with ORCID

Reference health. See whether every reference in this work resolves to a known work and none has been retracted — and get a dated CiteStamped badge you can embed.

See reference health

What this work says

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

inferredcites →https://doi.org/10.1002/prot.340230413openalex-snapshot

Protein–protein interaction at crystal contacts

inferredcites →https://doi.org/10.1002/qsar.200610091openalex-snapshot

Scaffold‐Hopping: How Far Can You Jump?

inferredcites →https://doi.org/10.1007/s00894-007-0207-6openalex-snapshot

Evaluation of the utility of homology models in high throughput docking

inferredcites →https://doi.org/10.1016/0022-2836(84)90371-1openalex-snapshot

Mechanisms of domain closure in proteins

inferredcites →https://doi.org/10.1016/0169-7439(94)00027-1openalex-snapshot

On better generalization by combining two or more models: a quantitative structure—activity relationship example using neural networks

inferredcites →https://doi.org/10.1021/ci050238copenalex-snapshot

Screening Drug-Like Compounds by Docking to Homology Models: A Systematic Study

inferredcites →https://doi.org/10.1021/jm020503aopenalex-snapshot

Kinases, Homology Models, and High Throughput Docking

inferredcites →https://doi.org/10.1021/jm0300781openalex-snapshot

Performance of 3D-Database Molecular Docking Studies into Homology Models

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

A Critical Assessment of Docking Programs and Scoring Functions

inferredcites →https://doi.org/10.1023/a:1007907728892openalex-snapshot

QXP: Powerful, rapid computer algorithms for structure-based drug design

What points at this work

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

inferred← citeshttps://doi.org/10.1002/9783527645121.ch10openalex-snapshot

New Types of Descriptors and Models in QSAR/QSPR

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

Kinase‐Kernel Models: Accurate Chemogenomic Method for the Entire Human Kinome

inferred← citeshttps://doi.org/10.1007/978-1-60761-274-2_12openalex-snapshot

Structure-Based Chemogenomics: Analysis of Protein Family Landscapes

inferred← citeshttps://doi.org/10.1007/978-1-60761-839-3_11openalex-snapshot

Pharmacophore-Based Virtual Screening

inferred← citeshttps://doi.org/10.1007/s10822-009-9276-1openalex-snapshot

Robust optimization of scoring functions for a target class

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/10.1016/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

Targeted scoring functions for virtual screening

inferred← citeshttps://doi.org/10.1016/j.jmgm.2016.05.006openalex-snapshot

Towards cheminformatics-based estimation of drug therapeutic index: Predicting the protective index of anticonvulsants using a new quantitative structure-index relationship approach

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.9b01155openalex-snapshot

Biased Diversity for Effective Virtual Screening

inferred← citeshttps://doi.org/10.1021/acs.jmedchem.6b00052openalex-snapshot

Toward the Validation of Maternal Embryonic Leucine Zipper Kinase: Discovery, Optimization of Highly Potent and Selective Inhibitors, and Preliminary Biology Insight

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/ci4000163openalex-snapshot

In Silico Fragment-Based Drug Discovery: Setup and Validation of a Fragment-to-Lead Computational Protocol Using S4MPLE

inferred← citeshttps://doi.org/10.1021/ci700439zopenalex-snapshot

Exploiting Structure–Activity Relationships in Docking

inferred← citeshttps://doi.org/10.1021/ci900283jopenalex-snapshot

A Novel Structure-Based Multimode QSAR Method Affords Predictive Models for Phosphodiesterase Inhibitors

inferred← citeshttps://doi.org/10.1021/jm101195aopenalex-snapshot

Trends in Kinase Selectivity: Insights for Target Class-Focused Library Screening

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/10.1039/9781849733496-00088openalex-snapshot

Human Targets Repositioning and Cell-based Approaches for Antimalarial Discovery

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/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

Descriptor-Based Profile Analysis of Kinase Inhibitors to Predict Inhibitory Activity and to Grasp Kinase Selectivity

inferred← citeshttps://doi.org/10.5772/intechopen.1005526openalex-snapshot

Molecular Docking: An Insight from Drug Discovery to Drug Repurposing Approach

Editorial review for independent work. ICSAC — the Institute for Complexity Science and Advanced Computing — runs a structured editorial panel for researchers publishing outside journals, and publishes on CiteStamp rails. Submission is free and goes through ORCID: icsacinstitute.org/submit.