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Discrete characterization of cross-sections of molecular surfaces

https://doi.org/10.1007/bf00526693
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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.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/jcc.540090513openalex-snapshot
Shape characterization of some molecular model surfaces
inferredcites →https://doi.org/10.1002/jcc.540090606openalex-snapshot
Shape group studies of molecular similarity and regioselectivity in chemical reactions
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.560230445openalex-snapshot
Quantum chemical structure–activity relationships on β‐carbolines as natural monoamine oxidase inhibitors
inferredcites →https://doi.org/10.1002/qua.560310211openalex-snapshot
Modified molecular charge similarity indices for choosing molecular analogues
inferredcites →https://doi.org/10.1002/qua.560320412openalex-snapshot
LCAO–MO similarity measures and taxonomy
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/10.1002/qua.560330206openalex-snapshot
SCF Deformation densities and electrostatic potentials of purines and pyrimidines
inferredcites →https://doi.org/10.1007/978-1-4757-9634-6openalex-snapshot
Chemical Applications of Atomic and Molecular Electrostatic Potentials
inferredcites →https://doi.org/10.1007/978-94-010-1772-5openalex-snapshot
Chemical and Biochemical Reactivity
inferredcites →https://doi.org/10.1007/978-94-015-6918-7openalex-snapshot
Quantum Theory of Chemical Reactions
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/10.1016/0009-2614(85)85027-2openalex-snapshot
Fractal surface dimension of proteins: Lysozyme
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/10.1016/0022-5193(72)90156-7openalex-snapshot
Quantitative examination of the approximations in the monopole and dipole theories of intermolecular interactions
inferredcites →https://doi.org/10.1016/0022-5193(82)90258-2openalex-snapshot
Differential geometry of proteins: A structural and dynamical representation of patterns
inferredcites →https://doi.org/10.1016/0022-5193(83)90291-6openalex-snapshot
Comparison of protein electrostatic potential along the catalytic triad of serine proteinases
inferredcites →https://doi.org/10.1016/0166-1280(88)80040-xopenalex-snapshot
Potential energy hypersurfaces
inferredcites →https://doi.org/10.1016/0166-1280(88)80060-5openalex-snapshot
Automatic determination of MEP patterns of molecules and its application to caffeine metabolism inhibitors
inferredcites →https://doi.org/10.1016/0166-1280(88)80410-xopenalex-snapshot
A topological characterization for simple molecular surfaces
inferredcites →https://doi.org/10.1016/0263-7855(83)80048-4openalex-snapshot
Generation of molecular surfaces for graphic display
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/10.1016/c2013-0-03310-5openalex-snapshot
Medicinal Chemistry Advances
inferredcites →https://doi.org/10.1021/ar00069a004openalex-snapshot
Electrostatic basis of structure-function correlation in proteins
inferredcites →https://doi.org/10.1021/j100257a012openalex-snapshot
Ab initio computation of molecular similarity
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/ja00315a018openalex-snapshot
Representation of electron densities. 1. Sphere fits to total electron density surfaces
inferredcites →https://doi.org/10.1021/ja00349a073openalex-snapshot
Atomic fits to electron densities in polyatomic molecules. Correlation of atom size and charge
inferredcites →https://doi.org/10.1021/ja00354a007openalex-snapshot
The calculation of molecular volumes and the use of volume analysis in the investigation of structured media and of solid-state organic reactivity
inferredcites →https://doi.org/10.1039/cs9790800563openalex-snapshot
Isosterism and molecular modification in drug design
inferredcites →https://doi.org/10.1073/pnas.75.1.303openalex-snapshot
Macromolecular shape and surface maps by solvent exclusion.
inferredcites →https://doi.org/10.1126/science.4071041openalex-snapshot
Synthesis and Evaluation of a Prototypal Artificial Red Cell
inferredcites →https://doi.org/10.1126/science.6879170openalex-snapshot
Solvent-Accessible Surfaces of Proteins and Nucleic Acids
inferredcites →https://doi.org/10.1126/science.7455704openalex-snapshot
Real-Time Color Graphics in Studies of Molecular Interactions
inferredcites →https://doi.org/10.1146/annurev.bb.06.060177.001055openalex-snapshot
AREAS, VOLUMES, PACKING, AND PROTEIN STRUCTURE
inferredcites →https://doi.org/10.1515/9783112706992openalex-snapshot
Theoretical Drug Design Methods
inferredcites →https://doi.org/10.21236/ad0705364openalex-snapshot
GRAPH THEORY

What points at this work

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

inferred← citeshttps://doi.org/10.1002/9780470125861.ch5openalex-snapshot
Molecular Shape Descriptors
inferred← citeshttps://doi.org/10.1002/jcc.540121006openalex-snapshot
Variable atomic radii based on some approximate configurational invariance and transferability properties of the electron density
inferred← citeshttps://doi.org/10.1002/jmr.2264openalex-snapshot
Fractal nature of protein surface roughness: a note on quantification of change of surface roughness in active sites, before and after binding
inferred← citeshttps://doi.org/10.1002/qua.560380512openalex-snapshot
Analysis of molecular shape changes along reaction paths
inferred← citeshttps://doi.org/10.1007/3-540-58672-5_22openalex-snapshot
Mapping of molecular electric potentials and fields
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/bf01113379openalex-snapshot
A measure of roughness of cross sections of molecular surfaces
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/10.1016/0166-1280(90)80082-yopenalex-snapshot
Molecular electrostatic force, solution electrostatic energy and solubility of polar and non-polar molecules in water
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/b978-0-444-89217-1.50011-9openalex-snapshot
References
inferred← citeshttps://doi.org/10.1016/j.molstruc.2010.12.050openalex-snapshot
σ-Hole bonding in 15N-labeled N-Benzyl-N-(4-iodo-tetrafluorobenzyl)-amine: Synthesis, crystal structure and solid-state structure calculations
inferred← citeshttps://doi.org/10.1023/a:1015138426162openalex-snapshot
Dimension Concepts and Reduced Dimensions in Toxicological QShAR Databases as Tools for Data Quality Assessment
inferred← citeshttps://doi.org/10.1023/a:1015190410232openalex-snapshot
Logical Models of Molecular Shapes and Their Families
inferred← citeshttps://doi.org/10.48550/arxiv.2108.07061openalex-snapshot
Topological Properties and Characterizations
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