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SPLICE: A program to assemble partial query solutions from three-dimensional database searches into novel ligands
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1002/9780470125786.ch6openalex-snapshot
Searching Databases of Three‐Dimensional Structures
inferredcites →https://doi.org/10.1002/prot.340110104openalex-snapshot
Functionality maps of binding sites: A multiple copy simultaneous search method
inferredcites →https://doi.org/10.1007/bf00117400openalex-snapshot
Cavity search: An algorithm for the isolation and display of cavity-like binding regions
inferredcites →https://doi.org/10.1007/bf00124387openalex-snapshot
The computer program LUDI: A new method for the de novo design of enzyme inhibitors
inferredcites →https://doi.org/10.1007/bf00125945openalex-snapshot
Automated site-directed drug design: The generation of a basic set of fragments to be used for automated structure assembly
inferredcites →https://doi.org/10.1007/bf00125946openalex-snapshot
Automated site-directed drug design: Searches of the Cambridge Structural Database for bond lengths in molecular fragments to be used for automated structure assembly
inferredcites →https://doi.org/10.1007/bf00125947openalex-snapshot
Automated site-directed drug design: An assessment of the transferability of atomic residual charges (CNDO) for molecular fragments
inferredcites →https://doi.org/10.1007/bf00126217openalex-snapshot
LUDI: rule-based automatic design of new substituents for enzyme inhibitor leads
inferredcites →https://doi.org/10.1007/bf00141572openalex-snapshot
FOUNDATION: A program to retrieve all possible structures containing a user-defined minimum number of matching query elements from three-dimensional databases
inferredcites →https://doi.org/10.1016/0022-2836(82)90153-xopenalex-snapshot
A geometric approach to macromolecule-ligand interactions
inferredcites →https://doi.org/10.1016/0160-9327(78)90081-9openalex-snapshot
Enzyme structure and mechanism
inferredcites →https://doi.org/10.1016/0223-5234(92)90126-lopenalex-snapshot
The design of drugs to macromolecular targets
inferredcites →https://doi.org/10.1016/0263-7855(92)80059-mopenalex-snapshot
Automated site-directed drug design using molecular lattices
inferredcites →https://doi.org/10.1016/0300-9629(93)90495-popenalex-snapshot
The design of drugs to macromolecular targets
inferredcites →https://doi.org/10.1021/ar00089a001openalex-snapshot
Systematic analysis of structural data as a research technique in organic chemistry
inferredcites →https://doi.org/10.1021/ci00067a016openalex-snapshot
Conformational freedom in 3-D databases. 1. Techniques
inferredcites →https://doi.org/10.1021/jm00090a001openalex-snapshot
3D database searching in drug design
inferredcites →https://doi.org/10.1021/jm00161a004openalex-snapshot
Docking flexible ligands to macromolecular receptors by molecular shape
inferredcites →https://doi.org/10.1021/jm00167a003openalex-snapshot
Hydroxyethylamine analogs of the p17/p24 substrate cleavage site are tight-binding inhibitors of HIV protease
inferredcites →https://doi.org/10.1073/pnas.84.20.7009openalex-snapshot
Binding of a reduced peptide inhibitor to the aspartic proteinase from Rhizopus chinensis: implications for a mechanism of action.
inferredcites →https://doi.org/10.1098/rspb.1989.0017openalex-snapshot
Automated site-directed drug design: the concept of spacer skeletons for primary structure generation
inferredcites →https://doi.org/10.1098/rspb.1989.0018openalex-snapshot
Automated site-directed drug design : the formation of molecular templates in primary structure generation
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.2139/ssrn.4786334openalex-extracted
Identification of Novel Sars-Cov-2 Inhibitors from Tinospora Cordifolia Using an In-Silico Breed Approach
inferred← citeshttps://doi.org/10.1002/(sici)1097-0282(199609)39:3<455::aid-bip16>3.0.co;2-aopenalex-snapshot
Low-resolution docking: Prediction of complexes for underdetermined structures
inferred← citeshttps://doi.org/10.1002/0471266949.bmc003openalex-snapshot
Molecular Modeling in Drug Design
inferred← citeshttps://doi.org/10.1002/9780470125885.ch1openalex-snapshot
Recent Advances in Ligand Design Methods
inferred← citeshttps://doi.org/10.1002/9780470125885.ch2openalex-snapshot
Current Issues in De Novo Molecular Design
inferred← citeshttps://doi.org/10.1002/9783527613083.ch11openalex-snapshot
Structure‐Based Library Design
inferred← citeshttps://doi.org/10.1002/9783527619368.ch16openalex-snapshot
Docking and Scoring for Structure‐based Drug Design
inferred← citeshttps://doi.org/10.1002/9783527654307.ch5openalex-snapshot
Mining the Cambridge Structural Database for Bioisosteres
inferred← citeshttps://doi.org/10.1002/9783527677016.ch1openalex-snapshot
De NovoDesign: From Models to Molecules
inferred← citeshttps://doi.org/10.1002/9783527677016.ch4openalex-snapshot
Structure‐BasedDe NovoDrug Design
inferred← citeshttps://doi.org/10.1002/cmdc.200500102openalex-snapshot
FlexNovo : Structure‐Based Searching in Large Fragment Spaces
inferred← citeshttps://doi.org/10.1002/prot.340230403openalex-snapshot
An automated method for dynamic ligand design
inferred← citeshttps://doi.org/10.1002/slct.202505425openalex-snapshot
De Novo Design and In Silico Validation of New Inhibitors Against PIKfyve as a Treatment for Cancer and Viral Diseases
inferred← citeshttps://doi.org/10.1002/wcms.49openalex-snapshot
Enabling future drug discovery by de novo design
inferred← citeshttps://doi.org/10.1007/0-306-46857-3_3openalex-snapshot
Receptor-Based Prediction of Binding Affinities
inferred← citeshttps://doi.org/10.1007/978-0-387-73715-7_5openalex-snapshot
Computer-Aided Design of Organic Host Architectures for Selective Chemosensors
inferred← citeshttps://doi.org/10.1007/978-1-4899-1031-8_46openalex-snapshot
Protein Docking in the Absence of Detailed Molecular Structures
inferred← citeshttps://doi.org/10.1007/978-1-4939-2926-9_5openalex-snapshot
Fragment-Based De Novo Design of Cyclin-Dependent Kinase 2 Inhibitors
inferred← citeshttps://doi.org/10.1007/978-1-4939-7756-7_5openalex-snapshot
De Novo Design of Ligands Using Computational Methods
inferred← citeshttps://doi.org/10.1007/978-3-0348-7164-8_6openalex-snapshot
Generation of new-lead structures in computer-aided drug design
inferred← citeshttps://doi.org/10.1007/978-94-017-1120-3_16openalex-snapshot
Computational tools for structure-based design
inferred← citeshttps://doi.org/10.1007/bf00117275openalex-snapshot
PRO_LIGAND: An approach to de novo molecular design. 1. Application to the design of organic molecules
inferred← citeshttps://doi.org/10.1007/bf00123996openalex-snapshot
PRO_LIGAND: An approach to de novo molecular design. 6. Flexible fitting in the design of peptides
inferred← citeshttps://doi.org/10.1007/bf00124404openalex-snapshot
PRO_LIGAND: An approach to de novo molecular design. 3. A genetic algorithm for structure refinement
inferred← citeshttps://doi.org/10.1007/bf00124453openalex-snapshot
PRO_LIGAND: An approach to de novo molecular design. 4. Application to the design of peptides
inferred← citeshttps://doi.org/10.1007/bf00124457openalex-snapshot
BUILDER v.2: Improving the chemistry of a de novo design strategy
inferred← citeshttps://doi.org/10.1007/bf00125381openalex-snapshot
Current methods for site-directed structure generation
inferred← citeshttps://doi.org/10.1007/bf00126746openalex-snapshot
Automated molecular design: A new fragment-joining algorithm
inferred← citeshttps://doi.org/10.1007/s00894-024-06214-6openalex-snapshot
Insight into the structural and dynamic properties of novel HSP90 inhibitors through DFT calculations and molecular dynamics simulations
inferred← citeshttps://doi.org/10.1007/s10822-008-9221-8openalex-snapshot
CONFIRM: connecting fragments found in receptor molecules
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Breed-based de novo hybridization via computer-aided drug design for the discovery of novel HER2 kinase inhibitors in breast cancer
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Introduction to Computer-Assisted Drug Design – Overview and Perspective for the Future
inferred← citeshttps://doi.org/10.1016/b978-0-12-820546-4.00011-8openalex-snapshot
Scaffold hopping: An approach to improve the existing pharmacological profile of NCEs
inferred← citeshttps://doi.org/10.1016/s0167-7799(00)89015-0openalex-snapshot
Genetic algorithms in molecular recognition and design
inferred← citeshttps://doi.org/10.1016/s1359-6446(01)02091-8openalex-snapshot
Virtual screening and fast automated docking methods
inferred← citeshttps://doi.org/10.1021/bk-2011-1076.ch001openalex-snapshot
Overview: Fragment-Based Drug Design
inferred← citeshttps://doi.org/10.1021/ic0202920openalex-snapshot
HostDesigner: A Program for the de Novo Structure-Based Design of Molecular Receptors with Binding Sites that Complement Metal Ion Guests
inferred← citeshttps://doi.org/10.1023/a:1008094712424openalex-snapshot
PRO_SELECT: Combining structure-based drug design and combinatorial chemistry for rapid lead discovery. 1. Technology
inferred← citeshttps://doi.org/10.1023/a:1027299602978openalex-snapshot
Receptor-based prediction of binding affinities
inferred← citeshttps://doi.org/10.1038/nrd1799openalex-snapshot
Computer-based de novo design of drug-like molecules
inferred← citeshttps://doi.org/10.1039/c0cs00075bopenalex-snapshot
De novo structure-based design of anion receptors
inferred← citeshttps://doi.org/10.1039/c2cc37776dopenalex-snapshot
Structural design principles for self-assembled coordination polygons and polyhedra
inferred← citeshttps://doi.org/10.1080/07391102.2020.1754918openalex-snapshot
BREED based de novo hybridization approach: generating novel T790M/C797S-EGFR tyrosine kinase inhibitors to overcome the problem of mutation and resistance in non small cell lung cancer (NSCLC)
inferred← citeshttps://doi.org/10.1201/9780203913390.ch18openalex-snapshot
Use of 3D Pharmacophore Models in 3D Database Searching
inferred← citeshttps://doi.org/10.17863/cam.16524openalex-snapshot
Probing the druggability of the Notch1 ankyrin domain using a fragment-based approach
inferred← citeshttps://doi.org/10.2174/1381612043452721openalex-snapshot
Recent Development and Application of Virtual Screening in Drug Discovery: An Overview
inferred← citeshttps://doi.org/10.2174/1389557520666191224113830openalex-snapshot
Transforming Non-Selective Angiotensin-Converting Enzyme Inhibitors in C- and N-domain Selective Inhibitors by Using Computational Tools
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Fragment-based virtual screening identifies novel leads against Plasmepsin IX (PlmIX) of Plasmodium falciparum: Homology modeling, molecular docking, and simulation approaches
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Pharmacoinformatics and Breed-Based De Novo Hybridization Studies to Develop New Neuraminidase Inhibitors as Potential Anti-Influenza Agents
inferred← citeshttps://doi.org/10.4018/978-1-5225-7326-5.ch005openalex-snapshot
Virtual Screening and Its Applications in Drug Discovery Process
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Développement d'outils de chémoinformatique pour l'identification d'inhibiteurs de protéines kinases à partir de fragments
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