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Automated site-directed drug design: The generation of a basic set of fragments to be used for automated structure assembly
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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/jps.2600690938openalex-snapshot
Substituent Constants for Correlation Analysis in Chemistry and Biology.
inferredcites →https://doi.org/10.1007/978-3-642-93144-4openalex-snapshot
Computational Aspects for Large Chemical Systems
inferredcites →https://doi.org/10.1007/bf00125319openalex-snapshot
Automated site-directed drug design: Approaches to the formation of 3D molecular graphs
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/bf01533070openalex-snapshot
ALADDIN: An integrated tool for computer-assisted molecular design and pharmacophore recognition from geometric, steric, and substructure searching of three-dimensional molecular structures
inferredcites →https://doi.org/10.1016/s0003-2670(01)84032-0openalex-snapshot
An approach to automated partial structure expansion
inferredcites →https://doi.org/10.1021/ci60016a007openalex-snapshot
CHEMICS-F: A Computer Program System for Structure Elucidation of Organic Compounds
inferredcites →https://doi.org/10.1021/ja01039a025openalex-snapshot
Applications of artificial intelligence for chemical inference. I. Number of possible organic compounds. Acyclic structures containing carbon, hydrogen, oxygen, and nitrogen
inferredcites →https://doi.org/10.1021/ja01039a026openalex-snapshot
Applications of artificial intelligence for chemical inference. II. Interpretation of low-resolution mass spectra of ketones
inferredcites →https://doi.org/10.1021/jm00125a025openalex-snapshot
New hydrogen-bond potentials for use in determining energetically favorable binding sites on molecules of known structure
inferredcites →https://doi.org/10.1021/jm00145a002openalex-snapshot
A computational procedure for determining energetically favorable binding sites on biologically important macromolecules
inferredcites →https://doi.org/10.1021/jm00161a004openalex-snapshot
Docking flexible ligands to macromolecular receptors by molecular shape
inferredcites →https://doi.org/10.1021/jm00399a006openalex-snapshot
Using shape complementarity as an initial screen in designing ligands for a receptor binding site of known three-dimensional structure
inferredcites →https://doi.org/10.1098/rspb.1989.0015openalex-snapshot
Automated site-directed drug design: a general algorithm for knowledge acquisition about hydrogen-bonding regions at protein surfaces
inferredcites →https://doi.org/10.1098/rspb.1989.0016openalex-snapshot
Automated site-directed drug design : the prediction and observation of ligand point positions at hydrogen-bonding regions on protein surfaces
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
inferredcites →https://doi.org/10.1515/iupac.69.0070openalex-snapshot
Hydrophobic Fragmental Constant
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/0471266949.bmc003openalex-snapshot
Molecular Modeling in Drug Design
inferred← citeshttps://doi.org/10.1002/9780470125885.ch2openalex-snapshot
Current Issues in De Novo Molecular Design
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Searching Techniques for Databases of Three‐Dimensional Chemical Structures
inferred← citeshttps://doi.org/10.1002/9783527612178.ch8openalex-snapshot
New Computational Approaches to Predict Protein‐Ligand Interactions
inferred← citeshttps://doi.org/10.1002/ange.19961082205openalex-snapshot
Was läßt sich aus der molekularen Erkennung in Protein‐Ligand‐Komplexen für das Design neuer Wirkstoffe lernen?
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What Can We Learn from Molecular Recognition in Protein–Ligand Complexes for the Design of New Drugs?
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ChemInform Abstract: Analysis of the Transferability of Similarity Calculations from Substructures to Complex Compounds
inferred← citeshttps://doi.org/10.1002/jmr.300060305openalex-snapshot
A novel computational tool for automated structure‐based drug design
inferred← citeshttps://doi.org/10.1002/prot.340230403openalex-snapshot
An automated method for dynamic ligand design
inferred← citeshttps://doi.org/10.1007/0-306-46857-3_3openalex-snapshot
Receptor-Based Prediction of Binding Affinities
inferred← citeshttps://doi.org/10.1007/978-94-011-1350-2_1openalex-snapshot
Defining molecular similarity and complementarity for drug design
inferred← citeshttps://doi.org/10.1007/bf00125175openalex-snapshot
The atom assignment problem in automated de novo drug design. 1. Transferability of molecular fragment properties
inferred← citeshttps://doi.org/10.1007/bf00125177openalex-snapshot
The atom assignment problem in automated de novo drug design. 3. Algorithms for optimization of fragment placement onto 3D molecular graphs
inferred← citeshttps://doi.org/10.1007/bf00125322openalex-snapshot
SPLICE: A program to assemble partial query solutions from three-dimensional database searches into novel ligands
inferred← citeshttps://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
inferred← citeshttps://doi.org/10.1007/bf00125947openalex-snapshot
Automated site-directed drug design: An assessment of the transferability of atomic residual charges (CNDO) for molecular fragments
inferred← citeshttps://doi.org/10.1007/bf02174465openalex-snapshot
Site-directed structure generation by fragment-joining
inferred← citeshttps://doi.org/10.1016/b0-08-045044-x/00114-0openalex-snapshot
Fragment-Based Approaches
inferred← citeshttps://doi.org/10.1016/b978-012178245-0/50005-6openalex-snapshot
Computer-Assisted New Lead Design
inferred← citeshttps://doi.org/10.1016/s0040-4020(01)00562-2openalex-snapshot
gasp: a computer program to generate automatically polycyclic structures
inferred← citeshttps://doi.org/10.1016/s0065-7743(08)60899-4openalex-snapshot
Chapter 29. 3D Database Searching and Docking Strategles
inferred← citeshttps://doi.org/10.1021/jm0582165openalex-snapshot
Searching Techniques for Databases of Two- and Three-Dimensional Chemical Structures
inferred← citeshttps://doi.org/10.1023/a:1007994827087openalex-snapshot
A branch-and-bound method for optimal atom-type assignment in de novo ligand design
inferred← citeshttps://doi.org/10.1023/a:1027299602978openalex-snapshot
Receptor-based prediction of binding affinities
inferred← citeshttps://doi.org/10.1109/hicss.1994.323575openalex-snapshot
De novo design of ligands /spl lsqb/automated drug design/spl rsqb/
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