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Global and local relative convexity and oriented relative convexity; application to molecular shapes in external fields
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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/ardp.19813140423openalex-snapshot
Steric Fit in Quantitative Structure‐Activity Relations (Vol. 15 der Reihe Lecture Notes in Chemistry) von A.T. Balaban, A. Chiriac, 1. Motoc und Z. Simon, 43Tab., 20Abb., VII, 178S., Preis DM 29,60, Springer‐Verlag, Berlin ‐ Heidelberg ‐ New York 1980
inferredcites →https://doi.org/10.1002/jcc.540020111openalex-snapshot
Simple calculation of electrostatic isopotential maps from bond fragments
inferredcites →https://doi.org/10.1002/jcc.540080426openalex-snapshot
The shape of molecular charge distributions: Group theory without symmetry
inferredcites →https://doi.org/10.1002/jps.2600690652openalex-snapshot
Computer assisted studies of chemical structure and biological function
inferredcites →https://doi.org/10.1002/qua.560170612openalex-snapshot
How similar is a molecule to another? An electron density measure of similarity between two molecular structures
inferredcites →https://doi.org/10.1002/qua.560200734openalex-snapshot
Molecular determinants for binding of methylenedioxytryptamines at 5-HT/LSD receptors
inferredcites →https://doi.org/10.1002/qua.560320816openalex-snapshot
Group theory of shapes of asymmetric biomolecules
inferredcites →https://doi.org/10.1002/qua.560320817openalex-snapshot
A method for the characterization of molecular conformations
inferredcites →https://doi.org/10.1007/978-1-4684-9978-0openalex-snapshot
Transition States of Biochemical Processes
inferredcites →https://doi.org/10.1007/978-1-4684-9978-0_3openalex-snapshot
Quantum-Mechanical Approaches to the Study of Enzymic Transition States and Reaction Paths
inferredcites →https://doi.org/10.1007/978-1-4757-9634-6_14openalex-snapshot
Electrostatic Potentials as Descriptors of Molecular Reactivity: The Basis for Some Successful Predictions of Biological Activity
inferredcites →https://doi.org/10.1007/978-3-642-48316-5_2openalex-snapshot
Steric and other Structural Parameters for QSAR
inferredcites →https://doi.org/10.1007/978-94-009-9516-1_9openalex-snapshot
On the Use of the Electrostatic Molecular Potential in Theoretical Investigations on Chemical Reactivity
inferredcites →https://doi.org/10.1007/bf00549152openalex-snapshot
The topology of energy hypersurfaces II. Reaction topology in euclidean spaces
inferredcites →https://doi.org/10.1007/bf00554117openalex-snapshot
Reactive domains of energy hypersurfaces and the stability of minimum energy reaction paths
inferredcites →https://doi.org/10.1007/bf01166298openalex-snapshot
Shape group studies of molecular similarity: Shape groups and shape graphs of molecular contour surfaces
inferredcites →https://doi.org/10.1016/0003-2697(85)90166-6openalex-snapshot
Studies in physical and theoretical chemistry
inferredcites →https://doi.org/10.1016/0016-0032(64)90315-1openalex-snapshot
Elements of general topology
inferredcites →https://doi.org/10.1016/0016-0032(68)90057-4openalex-snapshot
Lectures on algebraic topology
inferredcites →https://doi.org/10.1016/0166-1280(86)87076-2openalex-snapshot
Lecture notes in chemistry
inferredcites →https://doi.org/10.1016/0166-1280(88)80040-xopenalex-snapshot
Potential energy hypersurfaces
inferredcites →https://doi.org/10.1016/0223-5234(87)90065-1openalex-snapshot
QSAR in drug design and toxicology
inferredcites →https://doi.org/10.1016/0263-7855(85)80009-6openalex-snapshot
Depth-buffer algorithms for molecular modelling
inferredcites →https://doi.org/10.1016/0263-7855(87)80042-5openalex-snapshot
Surface fractality as a guide for studying protein-protein interactions
inferredcites →https://doi.org/10.1016/0263-7855(88)80061-4openalex-snapshot
Shape group studies of molecular similarity: relative shapes of Van der Waals and electrostatic potential surfaces of nicotinic agonists
inferredcites →https://doi.org/10.1021/ar00069a004openalex-snapshot
Electrostatic basis of structure-function correlation in proteins
inferredcites →https://doi.org/10.1021/ja00283a038openalex-snapshot
Modeling chemical reactivity. 1. Regioselectivity of Diels-Alder cycloadditions of electron-rich dienes with electron-deficient dienophiles
inferredcites →https://doi.org/10.1021/jm00156a005openalex-snapshot
The ensemble approach to distance geometry: application to the nicotinic pharmacophore
inferredcites →https://doi.org/10.1090/mmono/035openalex-snapshot
Extrinsic Geometry of Convex Surfaces
inferredcites →https://doi.org/10.1515/9783112706992openalex-snapshot
Theoretical Drug Design Methods
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/(sici)1097-461x(1997)63:1<39::aid-qua8>3.0.co;2-3openalex-snapshot
Quantum similarity measures and L�wdin's transform for approximate density matrices and macromolecular forces
inferred← citeshttps://doi.org/10.1002/chin.199622313openalex-snapshot
ChemInform Abstract: Molecular Similarity Measures for Assessing Reactivity
inferred← citeshttps://doi.org/10.1002/jcc.540120212openalex-snapshot
A complete shape characterization for molecular charge densities represented by Gaussian‐type functions
inferred← citeshttps://doi.org/10.1002/jcc.540120608openalex-snapshot
A topological analysis of molecular electrostatic potential on van der Waals surfaces for histamine and 4‐substituted derivatives as H2‐receptor agonists
inferred← citeshttps://doi.org/10.1002/jcc.540130110openalex-snapshot
Topological analysis of complex molecular surfaces
inferred← citeshttps://doi.org/10.1002/jcc.540141007openalex-snapshot
Shape groups of the electronic isodensity surfaces for small molecules: Shapes of 10‐electron hydrides
inferred← citeshttps://doi.org/10.1002/jcc.540161205openalex-snapshot
Application of the shape group method to conformational processes: Shape and conjugation changes in the conformers of 2‐phenyl pyrimidine
inferred← citeshttps://doi.org/10.1002/qua.560380512openalex-snapshot
Analysis of molecular shape changes along reaction paths
inferred← citeshttps://doi.org/10.1007/0-306-46907-3_2openalex-snapshot
Descriptors of Molecular Shape in 3D
inferred← citeshttps://doi.org/10.1007/0-306-46943-x_4openalex-snapshot
Transferability, adjustability, and additivity of fuzzy electron density fragments
inferred← citeshttps://doi.org/10.1007/978-94-011-1350-2_10openalex-snapshot
Methods of molecular shape similarity and topological shape design
inferred← citeshttps://doi.org/10.1007/978-94-011-2498-0_6openalex-snapshot
Theoretical Approaches to Structural Stability and Shape Stability Along Reaction Paths
inferred← citeshttps://doi.org/10.1007/978-94-011-2538-3_4openalex-snapshot
Dynamic Shape Analysis of Biomolecules Using Topological Shape Codes
inferred← citeshttps://doi.org/10.1007/978-94-011-3262-6_5openalex-snapshot
Non-Visual Molecular Shape Analysis: Shape Changes in Electronic Excitations and Chemical Reactions
inferred← citeshttps://doi.org/10.1007/978-94-011-3584-9_6openalex-snapshot
New Symmetry Theorems and Similarity Rules for Transition Structures
inferred← citeshttps://doi.org/10.1007/978-94-011-3698-3_9openalex-snapshot
A global approach to molecular chirality
inferred← citeshttps://doi.org/10.1007/978-94-011-5572-4_14openalex-snapshot
Shape in Quantum Chemistry
inferred← citeshttps://doi.org/10.1007/978-94-015-8488-3_3openalex-snapshot
Molecular Similarity Measures for Assessing Reactivity
inferred← citeshttps://doi.org/10.1007/bf01164655openalex-snapshot
Macromolecular density matrices and electron densities with adjustable nuclear geometries
inferred← citeshttps://doi.org/10.1007/bf01165554openalex-snapshot
Dynamic shape analysis of molecules in restricted domains of a configuration space
inferred← citeshttps://doi.org/10.1007/bf01166926openalex-snapshot
The?, ?, ?- Hull and theT-hull of a point set: Tools for the analysis of shapes and relative orientations of objects in 3d-space
inferred← citeshttps://doi.org/10.1007/bf01169181openalex-snapshot
Configurational dependence of molecular shape
inferred← citeshttps://doi.org/10.1007/bf01200813openalex-snapshot
Chemical stereographs: An extension of chemical graphs for representing stereochemical and conformational structures
inferred← citeshttps://doi.org/10.1007/bf01200814openalex-snapshot
The degree of similarity of three-dimensional bodies: Application to molecular shape analysis
inferred← citeshttps://doi.org/10.1007/s00214-021-02745-wopenalex-snapshot
From quantum similarity measures to quantum analogy functors: tools for QShAR, quantitative shape-activity relations
inferred← citeshttps://doi.org/10.1016/0166-1280(92)87162-sopenalex-snapshot
Similarities between the effects of configurational changes and applied electric fields on the shape of electron densities
inferred← citeshttps://doi.org/10.1016/0263-7855(90)80085-topenalex-snapshot
A method for the characterization of foldings in protein ribbon models
inferred← citeshttps://doi.org/10.1016/0263-7855(94)80075-8openalex-snapshot
Segmentation of protein surfaces using fuzzy logic
inferred← citeshttps://doi.org/10.1016/0301-0104(92)80171-qopenalex-snapshot
Deformation of electron densities in static external fields: shape group analysis for small molecules
inferred← citeshttps://doi.org/10.1016/b978-008044396-6/50019-8openalex-snapshot
The Theory of Chirality Induction and Chirality Reduction in Biomolecules
inferred← citeshttps://doi.org/10.1016/s0009-2614(02)01042-4openalex-snapshot
Synthesis reaction pathway of nitrogen-rich ionic compound N7H2+
inferred← citeshttps://doi.org/10.1016/s0065-3276(00)38002-9openalex-snapshot
Extended density functions
inferred← citeshttps://doi.org/10.1016/s0065-3276(08)60252-xopenalex-snapshot
Functional Groups in Quantum Chemistry
inferred← citeshttps://doi.org/10.1016/s1359-6446(97)01009-xopenalex-snapshot
Fuzzy molecular fragments in drug research
inferred← citeshttps://doi.org/10.1016/s1380-7323(96)80043-4openalex-snapshot
The Use of Electrostatic Potential Fields in QSAR and QSPR
inferred← citeshttps://doi.org/10.1016/s1873-9776(96)80007-1openalex-snapshot
Molecular similarity measures of conformational changes and electron density deformations
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Topology and the quantum chemical shape concept
inferred← citeshttps://doi.org/10.1021/ci9600263openalex-snapshot
Theorems on Molecular Shape-Similarity Descriptors: External T-Plasters and Interior T-Aggregates
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On the Balance of Simplification and Reality in Molecular Modeling of the Electron Density
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Theoretical Prediction on the Synthesis Reaction Pathway of N6 (C2h)
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Theoretical Study of the Potential Energy Surfaces of Nitrogen-Rich Ion N4H2F+
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Relative Local Convexity Approaches for Accessibility Studies of Molecular Regions
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Dimension Concepts and Reduced Dimensions in Toxicological QShAR Databases as Tools for Data Quality Assessment
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A Uniqueness Theorem of Molecular Recognition
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Generalized chirality and symmetry deficiency
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Shape‐similarity relations based on topological resolution
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The holographic electron density theorem and quantum similarity measures
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New man-machine communication strategies in molecular modelling
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The role of shape analysis in drug design
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Quantitative measures of molecular similarity (drug design)
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A general method for the identification and repair of concavities in segmented medical images
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Shape-similarity analysis of 20 stable conformations of neutral β-alanine
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