On the public citation graph
Pruned Receptor Surface Models and Pharmacophores for Three-Dimensional Database Searching
0 signed · 52 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.
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known work and none has been retracted — and get a dated CiteStamped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.
What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1002/9780470125892openalex-snapshot
Reviews in Computational Chemistry
inferredcites →https://doi.org/10.1002/9780470125939openalex-snapshot
Reviews in Computational Chemistry
inferredcites →https://doi.org/10.1002/9783527613083openalex-snapshot
Virtual Screening for Bioactive Molecules
inferredcites →https://doi.org/10.1002/cem.1180070603openalex-snapshot
Statistical thinking and technique for QSAR and related studies. Part I: General theory
inferredcites →https://doi.org/10.1002/jcc.540110404openalex-snapshot
Atomic charges derived from semiempirical methods
inferredcites →https://doi.org/10.1002/jcc.540120709openalex-snapshot
Development of an internal searching algorithm for parameterization of the MM2/MM3 force fields
inferredcites →https://doi.org/10.1002/med.10041openalex-snapshot
Selection criteria for drug‐like compounds
inferredcites →https://doi.org/10.1007/bf01533070openalex-snapshot
ALADDIN: An integrated tool for computer-assisted molecular design and pharmacophore recognition from geometric, steric, and substructure searching of three-dimensional molecular structures
inferredcites →https://doi.org/10.1007/bf01680553openalex-snapshot
A unique geometry of the active site of angiotensin-converting enzyme consistent with structure-activity studies
inferredcites →https://doi.org/10.1016/s0039-128x(96)00242-5openalex-snapshot
The estradiol pharmacophore: Ligand structure-estrogen receptor binding affinity relationships and a model for the receptor binding site
inferredcites →https://doi.org/10.1016/s0223-5234(00)00108-2openalex-snapshot
Validation of protein-based alignment in 3D quantitative structure–activity relationships with CoMFA models
inferredcites →https://doi.org/10.1021/ci00017a025openalex-snapshot
Flexible 3D searching: The directed tweak technique
inferredcites →https://doi.org/10.1021/ci010366aopenalex-snapshot
Is There a Difference between Leads and Drugs? A Historical Perspective
inferredcites →https://doi.org/10.1021/ci020368aopenalex-snapshot
Use of Catalyst Pharmacophore Models for Screening of Large Combinatorial Libraries
inferredcites →https://doi.org/10.1021/ci960108ropenalex-snapshot
Three-Dimensional Shape-Based Searching of Conformationally Flexible Compounds
inferredcites →https://doi.org/10.1021/ci960464+openalex-snapshot
“Shrink-Wrap” Surfaces: A New Method for Incorporating Shape into Pharmacophoric 3D Database Searching
inferredcites →https://doi.org/10.1021/ja00053a003openalex-snapshot
Partitioning of free energy contributions in the estimation of binding constants: residual motions and consequences for amide-amide hydrogen bond strengths
inferredcites →https://doi.org/10.1021/ja00066a004openalex-snapshot
3D-QSAR of angiotensin-converting enzyme and thermolysin inhibitors: a comparison of CoMFA models based on deduced and experimentally determined active site geometries
inferredcites →https://doi.org/10.1021/ja00122a030openalex-snapshot
Pseudoreceptor Modeling: The Construction of Three-Dimensional Receptor Surrogates
inferredcites →https://doi.org/10.1021/ja00226a005openalex-snapshot
Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins
inferredcites →https://doi.org/10.1021/ja973976topenalex-snapshot
Quasi-Atomistic Receptor Surface Models: A Bridge between 3-D QSAR and Receptor Modeling
inferredcites →https://doi.org/10.1021/jm00025a009openalex-snapshot
3D-Quantitative Structure-Activity Relationships of Human Immunodeficiency Virus Type-1 Proteinase Inhibitors: Comparative Molecular Field Analysis of 2-Heterosubstituted Statine Derivatives-Implications for the Design of Novel Inhibitors
inferredcites →https://doi.org/10.1021/jm00042a006openalex-snapshot
Genetically Evolved Receptor Models: A Computational Approach to Construction of Receptor Models
inferredcites →https://doi.org/10.1021/jm00042a012openalex-snapshot
Comparative Molecular Field Analysis Using GRID Force-Field and GOLPE Variable Selection Methods in a Study of Inhibitors of Glycogen Phosphorylase b
inferredcites →https://doi.org/10.1021/jm00050a010openalex-snapshot
Molecular Similarity Indices in a Comparative Analysis (CoMSIA) of Drug Molecules to Correlate and Predict Their Biological Activity
inferredcites →https://doi.org/10.1021/jm0101343openalex-snapshot
Three-Dimensional Quantitative Structure−Activity Relationships of Cyclo-oxygenase-2 (COX-2) Inhibitors: A Comparative Molecular Field Analysis
inferredcites →https://doi.org/10.1021/jm010458ropenalex-snapshot
Identification of Novel Cyclooxygenase-2 Selective Inhibitors Using Pharmacophore Models
inferredcites →https://doi.org/10.1021/jm010494qopenalex-snapshot
Evaluation of a Novel Shape-Based Computational Filter for Lead Evolution: Application to Thrombin Inhibitors
inferredcites →https://doi.org/10.1021/jm960352+openalex-snapshot
Selecting Optimally Diverse Compounds from Structure Databases: A Validation Study of Two-Dimensional and Three-Dimensional Molecular Descriptors
inferredcites →https://doi.org/10.1021/jm970211nopenalex-snapshot
Validation of EGSITE2, a Mixed Integer Program for Deducing Objective Site Models from Experimental Binding Data
inferredcites →https://doi.org/10.1021/jm970775ropenalex-snapshot
IcePick: A Flexible Surface-Based System for Molecular Diversity
inferredcites →https://doi.org/10.1021/jm981062ropenalex-snapshot
Three-Dimensional Quantitative Structure−Activity Relationship Analyses Using Comparative Molecular Field Analysis and Comparative Molecular Similarity Indices Analysis To Elucidate Selectivity Differences of Inhibitors Binding to Trypsin, Thrombin, and Factor Xa
inferredcites →https://doi.org/10.1021/jp980230oopenalex-snapshot
Prediction of Hydrophobic (Lipophilic) Properties of Small Organic Molecules Using Fragmental Methods: An Analysis of ALOGP and CLOGP Methods
inferredcites →https://doi.org/10.1023/a:1008007507641openalex-snapshot
Conformational energy penalties of protein-bound ligands
inferredcites →https://doi.org/10.1023/a:1008055202136openalex-snapshot
Do active site conformations of small ligands correspond to low free-energy solution structures?
inferredcites →https://doi.org/10.1023/a:1008194019144openalex-snapshot
Computational methods for the structural alignment of molecules
inferredcites →https://doi.org/10.1023/a:1021954728347openalex-snapshot
A comparison of the pharmacophore identification programs: Catalyst, DISCO and GASP
inferredcites →https://doi.org/10.2174/1381612013397843openalex-snapshot
3-D Pharmacophores in Drug Discovery
inferredcites →https://doi.org/10.2174/1381612033454568openalex-snapshot
Pharmacophore Discovery - Lessons Learned
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/9780470571224.pse032openalex-snapshot
Computer Techniques: Identifying Similarities Between Small Molecules
inferred← citeshttps://doi.org/10.1002/jcc.21635openalex-snapshot
Discovery of new β‐ D ‐galactosidase inhibitors via pharmacophore modeling and QSAR analysis followed by in silico screening
inferred← citeshttps://doi.org/10.1007/s00894-008-0350-8openalex-snapshot
Molecular modeling study on chemically diverse series of cyclooxygenase-2 selective inhibitors: generation of predictive pharmacophore model using Catalyst
inferred← citeshttps://doi.org/10.1007/s00894-010-0737-1openalex-snapshot
Discovery of new β-d-glucosidase inhibitors via pharmacophore modeling and QSAR analysis followed by in silico screening
inferred← citeshttps://doi.org/10.1016/b0-08-045044-x/00273-xopenalex-snapshot
Nuclear Hormone Receptors: Insights for Drug Design from Structure and Modeling
inferred← citeshttps://doi.org/10.1016/b978-012373649-9.50034-xopenalex-snapshot
Principles and Practice of Computer-Aided Drug Design as Applied to the Discovery of Antiepileptic Agents
inferred← citeshttps://doi.org/10.1016/j.ejmech.2006.07.017openalex-snapshot
Structure-based pharmacophore of COX-2 selective inhibitors and identification of original lead compounds from 3D database searching method
inferred← citeshttps://doi.org/10.1021/ci300146hopenalex-snapshot
GA(M)E-QSAR: A Novel, Fully Automatic Genetic-Algorithm-(Meta)-Ensembles Approach for Binary Classification in Ligand-Based Drug Design
inferred← citeshttps://doi.org/10.1021/ci8003682openalex-snapshot
Pharmacophore Modeling, Quantitative Structure−Activity Relationship Analysis, and Shape-Complemented in Silico Screening Allow Access to Novel Influenza Neuraminidase Inhibitors
inferred← citeshttps://doi.org/10.1080/07391102.2015.1032818openalex-snapshot
181 Discovery of potential inhibitors of BMX non-receptor tyrosine kinase through e-pharmacophore based virtual screening
inferred← citeshttps://doi.org/10.1080/07391102.2015.1032819openalex-snapshot
182 Molecular recognition between active site contour maps and ligand pharmacophoric sites predicts the future leads of HTLV-PR inhibitors
inferred← citeshttps://doi.org/10.1186/1758-2946-1-11openalex-snapshot
DPRESS: Localizing estimates of predictive uncertainty
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.