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SURFCOMP: A Novel Graph-Based Approach to Molecular Surface Comparison

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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)1097-0134(20000501)39:2<178::aid-prot8>3.0.co;2-6openalex-snapshot
Protein docking using spherical polar Fourier correlations
inferredcites →https://doi.org/10.1002/(sici)1521-3838(199801)17:01<27::aid-qsar27>3.0.co;2-aopenalex-snapshot
The Comparison of Molecular Surfaces by Neural Networks and its Applications to Quantitative Structure Activity Studies
inferredcites →https://doi.org/10.1002/bip.360250705openalex-snapshot
Shape complementarity at the hemoglobin α1β1 subunit interface
inferredcites →https://doi.org/10.1002/jcc.10086openalex-snapshot
Pattern recognition strategies for molecular surfaces. I. Pattern generation using fuzzy set theory
inferredcites →https://doi.org/10.1002/jcc.540070419openalex-snapshot
Atomic Physicochemical Parameters for Three‐Dimensional Structure‐Directed Quantitative Structure‐Activity Relationships I. Partition Coefficients as a Measure of Hydrophobicity
inferredcites →https://doi.org/10.1002/jcc.540130110openalex-snapshot
Topological analysis of complex molecular surfaces
inferredcites →https://doi.org/10.1002/prot.10115openalex-snapshot
Principles of docking: An overview of search algorithms and a guide to scoring functions
inferredcites →https://doi.org/10.1002/prot.340160306openalex-snapshot
Surface motifs by a computer vision technique: Searches, detection, and implications for protein–ligand recognition
inferredcites →https://doi.org/10.1002/prot.340170208openalex-snapshot
Molecular skins: A new concept for quantitative shape matching of a protein with its small molecule mimics
inferredcites →https://doi.org/10.1002/prot.340180111openalex-snapshot
Molecular surface representations by sparse critical points
inferredcites →https://doi.org/10.1002/qsar.19920110109openalex-snapshot
Complete Thermodynamic Description of H‐Bonding in the Framework of Multiplicative Approach
inferredcites →https://doi.org/10.1006/jmbi.1995.0493openalex-snapshot
Molecular Surface Complementarity at Protein-Protein Interfaces: The Critical Role Played by Surface Normals at Well Placed, Sparse, Points in Docking
inferredcites →https://doi.org/10.1006/jmbi.1998.2248openalex-snapshot
Three-dimensional profiles: a new tool to identify protein surface similarities
inferredcites →https://doi.org/10.1006/jmbi.1999.3328openalex-snapshot
Three-dimensional structure of M. tuberculosis dihydrofolate reductase reveals opportunities for the design of novel tuberculosis drugs
inferredcites →https://doi.org/10.1007/978-1-4684-2001-2openalex-snapshot
Complexity of Computer Computations
inferredcites →https://doi.org/10.1007/978-3-540-68279-0_8openalex-snapshot
Reducibility Among Combinatorial Problems
inferredcites →https://doi.org/10.1007/bf00124319openalex-snapshot
Molecular surface-volume and property matching to superpose flexible dissimilar molecules
inferredcites →https://doi.org/10.1007/bf00124359openalex-snapshot
A new approach to analysis and display of local lipophilicity/hydrophilicity mapped on molecular surfaces
inferredcites →https://doi.org/10.1007/bf00141577openalex-snapshot
A fast new approach to pharmacophore mapping and its application to dopaminergic and benzodiazepine agonists
inferredcites →https://doi.org/10.1007/pl00000677openalex-snapshot
Protein surface similarities: a survey of methods to describe and compare protein surfaces
inferredcites →https://doi.org/10.1016/0020-0190(76)90049-1openalex-snapshot
Subgraph isomorphism, matching relational structures and maximal cliques
inferredcites →https://doi.org/10.1016/0022-2836(71)90324-xopenalex-snapshot
The interpretation of protein structures: Estimation of static accessibility
inferredcites →https://doi.org/10.1016/0022-2836(79)90308-5openalex-snapshot
Gene duplications in the structural evolution of chymotrypsin
inferredcites →https://doi.org/10.1016/0263-7855(89)80016-5openalex-snapshot
A rapid method for comparing and matching the spherical parameter surfaces of molecules and other irregular objects
inferredcites →https://doi.org/10.1016/0263-7855(94)80075-8openalex-snapshot
Segmentation of protein surfaces using fuzzy logic
inferredcites →https://doi.org/10.1016/s0019-9958(65)90241-xopenalex-snapshot
Fuzzy sets
inferredcites →https://doi.org/10.1016/s0097-8485(01)00102-4openalex-snapshot
AI-based algorithms for protein surface comparisons
inferredcites →https://doi.org/10.1021/bi00492a021openalex-snapshot
Crystal structures of recombinant human dihydrofolate reductase complexed with folate and 5-deazafolate
inferredcites →https://doi.org/10.1021/ci00056a002openalex-snapshot
Algorithms for the identification of three-dimensional maximal common substructures
inferredcites →https://doi.org/10.1021/ci00056a003openalex-snapshot
Expert system for machine-aided indexing
inferredcites →https://doi.org/10.1021/ja00299a024openalex-snapshot
Development and use of quantum mechanical molecular models. 76. AM1: a new general purpose quantum mechanical molecular model
inferredcites →https://doi.org/10.1023/a:1007966011516openalex-snapshot
Comparison of protein surfaces using a genetic algorithm
inferredcites →https://doi.org/10.1023/a:1008167930625openalex-snapshot
A novel method of aligning molecules by local surface shape similarity
inferredcites →https://doi.org/10.1023/a:1016361910530openalex-snapshot
3D hydrogen bond thermodynamics (HYBOT) potentials in molecular modelling
inferredcites →https://doi.org/10.1093/nar/28.1.235openalex-snapshot
The Protein Data Bank
inferredcites →https://doi.org/10.1109/cvpr.1999.784731openalex-snapshot
Harmonic maps and their applications in surface matching
inferredcites →https://doi.org/10.1109/cvpr31182.2015openalex-snapshot
2015 IEEE Conference on Computer Vision and Pattern Recognition (CVPR)
inferredcites →https://doi.org/10.1126/science.6879170openalex-snapshot
Solvent-Accessible Surfaces of Proteins and Nucleic Acids
inferredcites →https://doi.org/10.1142/9789812816092openalex-snapshot
Moment Functions in Image Analysis — Theory and Applications
inferredcites →https://doi.org/10.1145/218380.218440openalex-snapshot
Multiresolution analysis of arbitrary meshes
inferredcites →https://doi.org/10.1145/362342.362367openalex-snapshot
Algorithm 457: finding all cliques of an undirected graph
inferredcites →https://doi.org/10.1145/362342.362369openalex-snapshot
Remark on Algorithm 323: Generation of Permutations in Lexicographic Order [G6]
inferredcites →https://doi.org/10.2307/2373037openalex-snapshot
Harmonic Mappings of Riemannian Manifolds

What points at this work

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

inferred← citeshttps://doi.org/10.1002/9783527619368.ch18openalex-snapshot
Lead Identification by Virtual Screening
inferred← citeshttps://doi.org/10.1002/chin.200430213openalex-snapshot
SURFCOMP: A Novel Graph‐Based Approach to Molecular Surface Comparison.
inferred← citeshttps://doi.org/10.1002/cmdc.200800313openalex-snapshot
From Molecular Shape to Potent Bioactive Agents I: Bioisosteric Replacement of Molecular Fragments
inferred← citeshttps://doi.org/10.1002/jcc.20770openalex-snapshot
Shapelets: Possibilities and limitations of shape‐based virtual screening
inferred← citeshttps://doi.org/10.1002/minf.202000081openalex-snapshot
sensaas : Shape‐based Alignment by Registration of Colored Point‐based Surfaces
inferred← citeshttps://doi.org/10.1002/qsar.200510120openalex-snapshot
Current Status of Virtual Combinatorial Library Design
inferred← citeshttps://doi.org/10.1002/wcms.1128openalex-snapshot
Shape‐based similarity searching in chemical databases
inferred← citeshttps://doi.org/10.1002/wcms.1640openalex-snapshot
Small molecule superposition: A comprehensive overview on pose scoring of the latest methods
inferred← citeshttps://doi.org/10.1007/978-3-031-04998-9_20openalex-snapshot
Methods for Rational Design and Discovery of Multitarget Drugs
inferred← citeshttps://doi.org/10.1007/978-3-319-89629-8_2openalex-snapshot
Deep Neural Networks for Structured Data
inferred← citeshttps://doi.org/10.1007/s00894-008-0424-7openalex-snapshot
Vicinity analysis: a methodology for the identification of similar protein active sites
inferred← citeshttps://doi.org/10.1016/j.cag.2021.06.007openalex-snapshot
Analyzing the similarity of protein domains by clustering Molecular Surface Maps
inferred← citeshttps://doi.org/10.1016/j.cagd.2006.03.003openalex-snapshot
Geometric modeling applications in rational drug design: a survey
inferred← citeshttps://doi.org/10.1016/j.compchemeng.2011.03.030openalex-snapshot
An integrated knowledge-based approach for modelling biochemical reaction networks
inferred← citeshttps://doi.org/10.1016/j.jbiotec.2011.12.005openalex-snapshot
Structure-based computational analysis of protein binding sites for function and druggability prediction
inferred← citeshttps://doi.org/10.1016/j.jmgm.2005.08.002openalex-snapshot
Exploring protein–ligand recognition with Binding MOAD
inferred← citeshttps://doi.org/10.1016/j.patcog.2006.02.024openalex-snapshot
Clustering techniques for protein surfaces
inferred← citeshttps://doi.org/10.1021/acs.jcim.1c00866openalex-snapshot
Validation of a Field-Based Ligand Screener Using a Novel Benchmarking Data Set for Assessing 3D-Based Virtual Screening Methods
inferred← citeshttps://doi.org/10.1021/acs.jcim.8b00216openalex-snapshot
Development and Validation of Molecular Overlays Derived from Three-Dimensional Hydrophobic Similarity with PharmScreen
inferred← citeshttps://doi.org/10.1021/ci0497049openalex-snapshot
SH2 Binding Site Comparison: A New Application of the SURFCOMP Method
inferred← citeshttps://doi.org/10.1021/ci050021iopenalex-snapshot
Comparing the Performance of FLUFF-BALL to SEAL-CoMFA with a Large Diverse Estrogen Data Set: From Relevant Superpositions to Solid Predictions
inferred← citeshttps://doi.org/10.1021/ci100227hopenalex-snapshot
Training a Scoring Function for the Alignment of Small Molecules
inferred← citeshttps://doi.org/10.1021/ci800315dopenalex-snapshot
ShaEP: Molecular Overlay Based on Shape and Electrostatic Potential
inferred← citeshttps://doi.org/10.1021/jm049123aopenalex-snapshot
BRUTUS: Optimization of a Grid-Based Similarity Function for Rigid-Body Molecular Superposition. 1. Alignment and Virtual Screening Applications
inferred← citeshttps://doi.org/10.1089/cmb.2009.0045openalex-snapshot
Binding Balls: Fast Detection of Binding Sites Using a Property of Spherical Fourier Transform
inferred← citeshttps://doi.org/10.1093/bioinformatics/btab205openalex-snapshot
ZEAL: protein structure alignment based on shape similarity
inferred← citeshttps://doi.org/10.1093/bioinformatics/btm503openalex-snapshot
Moment invariants as shape recognition technique for comparing protein binding sites
inferred← citeshttps://doi.org/10.1109/bibmw.2009.5332143openalex-snapshot
A global optimization algorithm for protein surface alignment
inferred← citeshttps://doi.org/10.1109/ictai66417.2025.00138openalex-snapshot
ProCLR: Supervised Contrastive Framework for Robust Protein Surface Classification
inferred← citeshttps://doi.org/10.1109/isco.2014.7103958openalex-snapshot
A simple and efficient heuristic algorithm for maximum clique problem
inferred← citeshttps://doi.org/10.1109/tvcg.2016.2598824openalex-snapshot
Molecular Surface Maps
inferred← citeshttps://doi.org/10.1111/cgf.12375openalex-snapshot
Comparative Visualization of Molecular Surfaces Using Deformable Models
inferred← citeshttps://doi.org/10.1140/epjp/i2014-14132-1openalex-snapshot
Predicting protein-ligand and protein-peptide interfaces
inferred← citeshttps://doi.org/10.1145/2801040.2801045openalex-snapshot
On the Utility of Large High-Resolution Displays for Comparative Scientific Visualisation
inferred← citeshttps://doi.org/10.1186/1471-2105-11-488openalex-snapshot
A global optimization algorithm for protein surface alignment
inferred← citeshttps://doi.org/10.1186/1471-2105-13-314openalex-snapshot
Local functional descriptors for surface comparison based binding prediction
inferred← citeshttps://doi.org/10.1186/1758-2946-1-19openalex-snapshot
Application of 3D Zernike descriptors to shape-based ligand similarity searching
inferred← citeshttps://doi.org/10.1186/s12859-015-0874-8openalex-snapshot
MS3ALIGN: an efficient molecular surface aligner using the topology of surface curvature
inferred← citeshttps://doi.org/10.1201/9781420086850-10openalex-snapshot
Protein Surface Representation and Comparison: New Approaches in Structural Proteomics
inferred← citeshttps://doi.org/10.1517/17460441.1.7.693openalex-snapshot
Drug design using comparative molecular surface analysis
inferred← citeshttps://doi.org/10.2174/092986709788803286openalex-snapshot
Receptor Dependent Multidimensional QSAR for Modeling Drug - Receptor Interactions
inferred← citeshttps://doi.org/10.32469/10355/43250openalex-snapshot
Efficient search and comparison algorithms for 3D protein binding site retrieval and structure alignment from large-scale databases
inferred← citeshttps://doi.org/10.3389/fchem.2018.00315openalex-snapshot
Advances in the Development of Shape Similarity Methods and Their Application in Drug Discovery
inferred← citeshttps://doi.org/10.3389/fgene.2014.00302openalex-snapshot
Proteins comparison through probabilistic optimal structure local alignment
inferred← citeshttps://doi.org/10.3390/ph17080992openalex-snapshot
Do Molecular Fingerprints Identify Diverse Active Drugs in Large-Scale Virtual Screening? (No)
inferred← citeshttps://doi.org/10.3797/scipharm.1204-19openalex-snapshot
Improvement of the Prediction Power of the CoMFA and CoMSIA Models of Histamine H3 Antagonists by Different Variable Selection Methods
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