On the public citation graph
Constrained search of conformational hyperspace
0 signed · 135 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known work and none has been retracted — and get a dated CiteStamped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/jcc.540090511openalex-snapshot
Determination of the major solution conformation of tyrocidine A, using molecular mechanics energy minimization and NMR‐derived distance and torsion angle constraints
inferredcites →https://doi.org/10.1002/prot.340010207openalex-snapshot
An algorithm for determining the conformation of polypeptide segments in proteins by systematic search
inferredcites →https://doi.org/10.1002/qsar.19860050305openalex-snapshot
Three‐Dimensional Quantitative Structure‐Activity Relationships I. General Approach to the Pharmacophore Model Validation
inferredcites →https://doi.org/10.1007/bf01677047openalex-snapshot
Designing novel nicotinic agonists by searching a database of molecular shapes
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/10.1016/0165-6147(88)90012-0openalex-snapshot
Three-dimensional structure-activity relationships
inferredcites →https://doi.org/10.1016/0166-1280(87)80078-7openalex-snapshot
Mathematics and computational concepts in chemistry
inferredcites →https://doi.org/10.1016/s0092-8240(84)80066-xopenalex-snapshot
A distance geometry program for determining the structures of small proteins and other macromolecules from nuclear magnetic resonance measurements of intramolecular H-H proximities in solution
inferredcites →https://doi.org/10.1021/bk-1979-0112.ch009openalex-snapshot
The Conformational Parameter in Drug Design: The Active Analog Approach
inferredcites →https://doi.org/10.1021/jm00156a005openalex-snapshot
The ensemble approach to distance geometry: application to the nicotinic pharmacophore
inferredcites →https://doi.org/10.1021/jm00360a007openalex-snapshot
Recognition of cholinergic agonists by the muscarinic receptor. 1. Acetylcholine and other agonists with the NCCOCC backbone
inferredcites →https://doi.org/10.1021/ma00154a069openalex-snapshot
Chain closure with bond angle variations
inferredcites →https://doi.org/10.1021/ma60014a012openalex-snapshot
Ring Closure and Local Conformational Deformations of Chain Molecules
inferredcites →https://doi.org/10.1146/annurev.pa.27.040187.001205openalex-snapshot
Computer-Aided 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/(sici)1096-9063(199911)55:11<1059::aid-ps57>3.0.co;2-jopenalex-snapshot
A comparative molecular field analysis study of obtusifoliol 14α-methyl demethylase inhibitors
inferred← citeshttps://doi.org/10.1002/(sici)1096-987x(19960715)17:9<1142::aid-jcc6>3.0.co;2-sopenalex-snapshot
A comparison of a direct search method and a genetic algorithm for conformational searching
inferred← citeshttps://doi.org/10.1002/(sici)1096-987x(19980115)19:1<60::aid-jcc5>3.0.co;2-xopenalex-snapshot
Conformational search using a molecular dynamics-minimization procedure: Applications to clusters of coulombic charges, Lennard-Jones particles, and waters
inferred← citeshttps://doi.org/10.1002/(sici)1520-636x(1997)9:4<380::aid-chir11>3.0.co;2-jopenalex-snapshot
On the odor of the enantiomers of Madrol�
inferred← citeshttps://doi.org/10.1002/0471266949.bmc003openalex-snapshot
Molecular Modeling in Drug Design
inferred← citeshttps://doi.org/10.1002/9780470125793.ch1openalex-snapshot
A Survey of Methods for Searching the Conformational Space of Small and Medium‐Sized Molecules
inferred← citeshttps://doi.org/10.1002/9780470125823.ch7openalex-snapshot
A Perspective of Modern Methods in Computer‐Aided Drugc design
inferred← citeshttps://doi.org/10.1002/9780470125878.ch1openalex-snapshot
Genetic Algorithms and Their Use in Chemistry
inferred← citeshttps://doi.org/10.1002/9780470125885.ch2openalex-snapshot
Current Issues in De Novo Molecular Design
inferred← citeshttps://doi.org/10.1002/9780470125885.ch3openalex-snapshot
Theoretical and Practical Aspects of Three‐Dimensional Quantitative Structure‐Activity Relationships
inferred← citeshttps://doi.org/10.1002/9780470249031.ch1openalex-snapshot
Modeling and Informatics in Drug Design
inferred← citeshttps://doi.org/10.1002/9780470571224.pse031openalex-snapshot
Modeling and Informatics in Drug Design
inferred← citeshttps://doi.org/10.1002/9780470749708.ch2openalex-snapshot
Computational Approaches in Peptide and Protein Design: An Overview
inferred← citeshttps://doi.org/10.1002/9783527613168.ch7openalex-snapshot
Chemical Structure Handling
inferred← citeshttps://doi.org/10.1002/9783527614141.ch07openalex-snapshot
Computer‐Assisted Library Design
inferred← citeshttps://doi.org/10.1002/9783527615674.ch2openalex-snapshot
3D QSAR The Integration of QSAR with Molecular Modeling
inferred← citeshttps://doi.org/10.1002/9783527618279.ch44hopenalex-snapshot
Pharmacophore and Drug Discovery
inferred← citeshttps://doi.org/10.1002/bip.360300107openalex-snapshot
Application of the distance geometry algorithm to cyclic oligopeptide conformation searches
inferred← citeshttps://doi.org/10.1002/bip.360321110openalex-snapshot
The utility of side‐chain cyclization in determining the receptor‐bound conformation of peptides: Cyclic tripeptides and angiotensin II
inferred← citeshttps://doi.org/10.1002/bip.360360207openalex-snapshot
Conformational mimicry: Synthesis and solution conformation of a cyclic somatostatin hexapeptide containing a tetrazole cis amide bond surrogate
inferred← citeshttps://doi.org/10.1002/cem.1180060602openalex-snapshot
A review of three‐dimensional chemical structure retrieval systems
inferred← citeshttps://doi.org/10.1002/hlca.19940770816openalex-snapshot
Conformational Parameters of the Sandalwood‐Odor Activity: Conformational calculations on sandalwood odor
inferred← citeshttps://doi.org/10.1002/jcc.10175openalex-snapshot
Conformational analysis by intersection: CONAN
inferred← citeshttps://doi.org/10.1002/jcc.21545openalex-snapshot
SKATE: A docking program that decouples systematic sampling from scoring
inferred← citeshttps://doi.org/10.1002/jcc.540130308openalex-snapshot
Exploring the conformation space of cycloalkanes by linearized embedding
inferred← citeshttps://doi.org/10.1002/jcc.540140907openalex-snapshot
Conformational searching methods for small molecules. I. Study of the sybyl search method
inferred← citeshttps://doi.org/10.1002/jcc.540141117openalex-snapshot
Conformational searching methods for small molecules. II. Genetic algorithm approach
inferred← citeshttps://doi.org/10.1002/jcc.540160205openalex-snapshot
Poling: Promoting conformational variation
inferred← citeshttps://doi.org/10.1002/med.2610110605openalex-snapshot
Computer‐assisted drug design. Part I. Conditions in the 1980s
inferred← citeshttps://doi.org/10.1002/ps.2780551103openalex-snapshot
A comparative molecular field analysis study of obtusifoliol 14α-methyl demethylase inhibitors
inferred← citeshttps://doi.org/10.1002/qua.20703openalex-snapshot
Algebraic algorithms for structure determination in biological chemistry
inferred← citeshttps://doi.org/10.1007/978-1-349-12973-7_10openalex-snapshot
A Perspective of Peptide Modelling
inferred← citeshttps://doi.org/10.1007/978-1-349-12973-7_3openalex-snapshot
The Global Minimum Problem in Molecular Mechanics: Simulated Annealing and Related Techniques
inferred← citeshttps://doi.org/10.1007/978-1-349-12973-7_4openalex-snapshot
The Castlemaine Project: Development of an AI-based Drug Design Support System
inferred← citeshttps://doi.org/10.1007/978-1-349-12973-7_6openalex-snapshot
Applications of Artificial Intelligence in Molecular Modelling and Drug Design
inferred← citeshttps://doi.org/10.1007/978-94-011-1350-2_12openalex-snapshot
Comparative molecular field analysis (CoMFA)
inferred← citeshttps://doi.org/10.1007/978-94-011-1350-2_3openalex-snapshot
The treatment of conformationally flexible molecules in similarity and complementarity searching
inferred← citeshttps://doi.org/10.1007/978-94-011-1470-7_24openalex-snapshot
The solution NMR structure of emerimicins III and IV determined using the new program, MACROSEARCH
inferred← citeshttps://doi.org/10.1007/978-94-011-2264-1_103openalex-snapshot
Spatial orientation of biologically important functional groups common for a series of active somatostatin analogs
inferred← citeshttps://doi.org/10.1007/978-94-017-1120-3_1openalex-snapshot
Empirical classical interaction functions for molecular simulation
inferred← citeshttps://doi.org/10.1007/bf00117279openalex-snapshot
DBMAKER: A set of programs to generate three-dimensional databases based upon user-specified criteria
inferred← citeshttps://doi.org/10.1007/bf00124320openalex-snapshot
Sampling conformational hyperspace: Techniques for improving completeness
inferred← citeshttps://doi.org/10.1007/bf00124402openalex-snapshot
Flexible ligand docking using a genetic algorithm
inferred← citeshttps://doi.org/10.1007/bf00124455openalex-snapshot
Flexible matching of test ligands to a 3D pharmacophore using a molecular superposition force field: Comparison of predicted and experimental conformations of inhibitors of three enzymes
inferred← citeshttps://doi.org/10.1007/bf00124472openalex-snapshot
Active-site-directed 3D database searching: Pharmacophore extraction and validation of hits
inferred← citeshttps://doi.org/10.1007/bf00126746openalex-snapshot
Automated molecular design: A new fragment-joining algorithm
inferred← citeshttps://doi.org/10.1007/bf00129425openalex-snapshot
A pseudoreceptor docking study of 4,5-?-epoxymorphinans with a range of dielectric constants
inferred← citeshttps://doi.org/10.1016/0076-6879(91)03033-dopenalex-snapshot
[31] Molecular electrostatic potentials for characterizing drug-biosystem interactions
inferred← citeshttps://doi.org/10.1016/0263-7855(92)80068-oopenalex-snapshot
Pharmacophoric pattern matching in files of three-dimensional chemical structures: use of bounded distance matrices for the representation and searching of conformationally flexible molecules
inferred← citeshttps://doi.org/10.1016/0263-7855(93)80066-zopenalex-snapshot
Pharmacophoric pattern matching in files of three-dimensional chemical structures: Implementation of flexible searching
inferred← citeshttps://doi.org/10.1016/0263-7855(95)00040-2openalex-snapshot
BOOMSLANG: A program for combinatorial structure generation
inferred← citeshttps://doi.org/10.1016/0959-440x(91)90062-xopenalex-snapshot
Molecular mechanical potential functions and their application to study molecular systems
inferred← citeshttps://doi.org/10.1016/b0-08-045044-x/00247-9openalex-snapshot
Pharmacophore Modeling: 1 – Methods
inferred← citeshttps://doi.org/10.1016/b978-0-12-409547-2.02559-2openalex-snapshot
Pharmacophore Modeling: 1 – Methods
inferred← citeshttps://doi.org/10.1016/b978-0-444-88931-7.50026-8openalex-snapshot
Drug Modeling at Cell Membrane Receptors: The Concept of Pseudoreceptors
inferred← citeshttps://doi.org/10.1016/b978-0-7506-1188-6.50034-xopenalex-snapshot
The Castlemaine Project: development of an AI-based design support system
inferred← citeshttps://doi.org/10.1016/b978-012178245-0/50004-4openalex-snapshot
Molecular Modeling of Small Molecules
inferred← citeshttps://doi.org/10.1016/b978-012178245-0/50008-1openalex-snapshot
Modeling Drug–Receptor Interactions
inferred← citeshttps://doi.org/10.1016/b978-012310920-0/50006-1openalex-snapshot
Peptide Conformation: Stability and Dynamics
inferred← citeshttps://doi.org/10.1016/j.bmc.2009.03.008openalex-snapshot
ACE inhibitors hypothesis generation for selective design, synthesis and biological evaluation of 3-mercapto-2-methyl-propanoyl-pyrrolidine-3-imine derivatives as antihypertensive agents
inferred← citeshttps://doi.org/10.1016/j.ejmech.2011.05.007openalex-snapshot
Angiotensin-I-converting enzyme inhibitory peptides: Chemical feature based pharmacophore generation
inferred← citeshttps://doi.org/10.1016/s0006-3495(91)82188-9openalex-snapshot
Dynamical search for bis-penicillamine enkephalin conformations
inferred← citeshttps://doi.org/10.1016/s0022-2860(99)00132-5openalex-snapshot
Fourier transform infrared spectra and normal mode analysis of 1-(3-methyl phenyl piperazin-1-yl)-2-(quinolin-2-yl)ethane (Centhaquin): a potent centrally acting anti-hypertensive agent
inferred← citeshttps://doi.org/10.1016/s0040-4020(00)00886-3openalex-snapshot
Constrained Peptidomimetics for TRH: cis-Peptide Bond Analogs
inferred← citeshttps://doi.org/10.1016/s0040-4020(01)89684-8openalex-snapshot
Conformational analysis of a new cyclic depsipeptide calcium blocker, leualacin, by NMR spectroscopy
inferred← citeshttps://doi.org/10.1016/s0040-4020(01)90214-5openalex-snapshot
A hierarchical approach to peptidomimetic design
inferred← citeshttps://doi.org/10.1016/s0065-7743(08)60941-0openalex-snapshot
Chapter 28. Structure-Based Design from Flexible Ligands
inferred← citeshttps://doi.org/10.1016/s0065-7743(08)61216-6openalex-snapshot
Chapter 29. Receptor Modeling by Distance Geometry
inferred← citeshttps://doi.org/10.1016/s0097-8485(00)00113-3openalex-snapshot
Three-dimensional quantitative structure–activity relationship for several bioactive peptides searched by a convex hull–comparative molecular field analysis approach
inferred← citeshttps://doi.org/10.1016/s0166-1280(02)00625-5openalex-snapshot
Dynamic 3D QSAR techniques: applications in toxicology
inferred← citeshttps://doi.org/10.1016/s0166-1280(96)04565-4openalex-snapshot
Systematic search in conformational analysis
inferred← citeshttps://doi.org/10.1016/s0167-4838(98)00261-1openalex-snapshot
A comparative molecular field analysis study on several bioactive peptides using the alignment rules derived from identification of commonly exposed groups
inferred← citeshttps://doi.org/10.1016/s0960-894x(98)00567-8openalex-snapshot
Thyrotropin releasing hormone analogs: A building block approach to the construction of tetracyclic peptidomimetics
inferred← citeshttps://doi.org/10.1016/s0968-0896(01)00287-5openalex-snapshot
Conformationally restricted TRH analogues
inferred← citeshttps://doi.org/10.1016/s1093-3263(97)00014-4openalex-snapshot
Conformational analysis using distance geometry methods
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/s1386-1425(99)00224-3openalex-snapshot
Fourier transform infrared spectra and normal mode analysis of 1-[(3-methyl phenyl) piperazin-1-yl]-3-[thio(4-acetamido-phenyl]propane: a potent 5-HT2 and D2 receptor ligand
inferred← citeshttps://doi.org/10.1017/s0043174500094601openalex-snapshot
Computer Assisted Molecular Design: Overview of cModern Techniques in Quantitative Structure Activity Relationships (QSAR)
inferred← citeshttps://doi.org/10.1021/ci000328bopenalex-snapshot
Classification of Some Active Compounds and Their Inactive Analogues Using Two Three-Dimensional Molecular Descriptors Derived from Computation of Three-Dimensional Convex Hulls for Structures Theoretically Generated for Them
inferred← citeshttps://doi.org/10.1021/ci000453nopenalex-snapshot
Improved Electron-Conformational Method of Pharmacophore Identification and Bioactivity Prediction. Application to Angiotensin Converting Enzyme Inhibitors
inferred← citeshttps://doi.org/10.1021/ci034002popenalex-snapshot
Similarity Searching in Databases of Flexible 3D Structures Using Smoothed Bounded Distance Matrices
inferred← citeshttps://doi.org/10.1021/ci200442hopenalex-snapshot
Modeling Flexible Pharmacophores with Distance Geometry, Scoring, and Bound Stretching
inferred← citeshttps://doi.org/10.1021/ci700014hopenalex-snapshot
Conformational Coverage by a Genetic Algorithm: Saturation of Conformational Space
inferred← citeshttps://doi.org/10.1021/ci9002816openalex-snapshot
Multiobjective Optimization of Pharmacophore Hypotheses: Bias Toward Low-Energy Conformations
inferred← citeshttps://doi.org/10.1021/ci950273ropenalex-snapshot
Identification of Common Functional Configurations Among Molecules
inferred← citeshttps://doi.org/10.1021/ci970438ropenalex-snapshot
Superposition of Three-Dimensional Chemical Structures Allowing for Conformational Flexibility by a Hybrid Method
inferred← citeshttps://doi.org/10.1021/ci990106hopenalex-snapshot
Expert System Assisted Pharmacophore Identification
inferred← citeshttps://doi.org/10.1021/ci990303gopenalex-snapshot
Conformational Coverage by a Genetic Algorithm
inferred← citeshttps://doi.org/10.1021/ci990327nopenalex-snapshot
Automated Pharmacophore Identification for Large Chemical Data Sets
inferred← citeshttps://doi.org/10.1021/ja952478mopenalex-snapshot
Low Mode Search. An Efficient, Automated Computational Method for Conformational Analysis: Application to Cyclic and Acyclic Alkanes and Cyclic Peptides
inferred← citeshttps://doi.org/10.1021/jm049066lopenalex-snapshot
Conformation Mining: An Algorithm for Finding Biologically Relevant Conformations
inferred← citeshttps://doi.org/10.1021/jm1012984openalex-snapshot
Tripeptide Motifs in Biology: Targets for Peptidomimetic Design
inferred← citeshttps://doi.org/10.1021/jm9700171openalex-snapshot
Derivation of a Three-Dimensional Pharmacophore Model of Substance P Antagonists Bound to the Neurokinin-1 Receptor
inferred← citeshttps://doi.org/10.1021/jm970211nopenalex-snapshot
Validation of EGSITE2, a Mixed Integer Program for Deducing Objective Site Models from Experimental Binding Data
inferred← citeshttps://doi.org/10.1021/jp982255topenalex-snapshot
Analysis and Application of Potential Energy Smoothing and Search Methods for Global Optimization
inferred← citeshttps://doi.org/10.1023/a:1008055202136openalex-snapshot
Do active site conformations of small ligands correspond to low free-energy solution structures?
inferred← citeshttps://doi.org/10.1023/a:1008067209563openalex-snapshot
Development of a common 3D pharmacophore for δ-opioid recognition from peptides and non-peptides using a novel computer program
inferred← citeshttps://doi.org/10.1023/a:1008136325544openalex-snapshot
3D-QSAR using `Multiconformer' alignment: The use of HASL in the analysis of 5-HT1A thienopyrimidinone ligands†
inferred← citeshttps://doi.org/10.1023/a:1008198211292openalex-snapshot
Homology model directed alignment selection for comparative molecular field analysis: Application to photosystem II inhibitors
inferred← citeshttps://doi.org/10.1023/a:1008209806860openalex-snapshot
Distributed torsion angle grid search in high dimensions: A systematic approach to NMR structure determination
inferred← citeshttps://doi.org/10.1023/a:1011945119287openalex-snapshot
Evaluation of designed ligands by a multiple screening method: Application to glycogen phosphorylase inhibitors constructed with a variety of approaches
inferred← citeshttps://doi.org/10.1023/b:stuc.0000004491.09786.f4openalex-snapshot
Molecular Modeling of Steroid–Nucleoside Conjugates: A Preliminary Structural Study
inferred← citeshttps://doi.org/10.1039/9781849735377-00151openalex-snapshot
Pharmacophore Models in Drug Design
inferred← citeshttps://doi.org/10.1080/08927029308022163openalex-snapshot
Application of Systematic Conformational Search to Protein Modeling
inferred← citeshttps://doi.org/10.1111/j.1399-3011.1994.tb01140.xopenalex-snapshot
Computational molecular modeling in peptide drug design
inferred← citeshttps://doi.org/10.1177/0165551507084631openalex-snapshot
From chemical documentation to chemoinformatics: 50 years of chemical information science
inferred← citeshttps://doi.org/10.1201/9780203913390-22openalex-snapshot
Pharmacophore Discovery: A Critical Review
inferred← citeshttps://doi.org/10.1385/0-89603-275-2:17openalex-snapshot
Molecular Modeling of Antibody-Combining Sites
inferred← citeshttps://doi.org/10.1517/13543776.7.9.937openalex-snapshot
Recent advances in computer-aided drug design methods
inferred← citeshttps://doi.org/10.21236/ada434479openalex-snapshot
Biomedical Requirements for High Productivity Computing Systems
inferred← citeshttps://doi.org/10.29085/9781856049986.010openalex-snapshot
From chemical documentation to chemoinformatics: 50 years of chemical information science
inferred← citeshttps://doi.org/10.7936/k7hh6h2fopenalex-snapshot
Accurate Docking is Achieved by Decoupling Systematic Sampling from Scoring
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.