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The atom assignment problem in automated de novo drug design. 4. Tests for site-directed fragment placement based on molecular complementarity
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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/prot.340080108openalex-snapshot
Crystallographic refinement of human serum retinol binding protein at 2Å resolution
inferredcites →https://doi.org/10.1007/bf00124003openalex-snapshot
The atom assignment problem in automated de novo drug design. 5. Tests for envelope-directed fragment placement based on molecular similarity
inferredcites →https://doi.org/10.1007/bf00125175openalex-snapshot
The atom assignment problem in automated de novo drug design. 1. Transferability of molecular fragment properties
inferredcites →https://doi.org/10.1007/bf00125176openalex-snapshot
The atom assignment problem in automated de novo drug design. 2. A method for molecular graph and fragment perception
inferredcites →https://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
inferredcites →https://doi.org/10.1016/0014-5793(93)81272-2openalex-snapshot
Mechanism of pH‐induced release of retinol from retinol‐binding protein
inferredcites →https://doi.org/10.1016/0022-2836(87)90315-9openalex-snapshot
Structure of a complex of catabolite gene activator protein and cyclic AMP refined at 2.5 Å resolution
inferredcites →https://doi.org/10.1016/0022-2836(88)90307-5openalex-snapshot
Crystal structure of p-hydroxybenzoate hydroxylase complexed with its reaction product 3,4-dihydroxybenzoate
inferredcites →https://doi.org/10.1016/0022-2836(91)90756-vopenalex-snapshot
The refined structure of the complex between adenylate kinase from beef heart mitochondrial matrix and its substrate AMP at 1.85 Å resolution
inferredcites →https://doi.org/10.1021/bi00492a021openalex-snapshot
Crystal structures of recombinant human dihydrofolate reductase complexed with folate and 5-deazafolate
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/9780470125885.ch2openalex-snapshot
Current Issues in De Novo Molecular Design
inferred← citeshttps://doi.org/10.1002/9783527619368.ch16openalex-snapshot
Docking and Scoring for Structure‐based Drug Design
inferred← citeshttps://doi.org/10.1007/bf00124003openalex-snapshot
The atom assignment problem in automated de novo drug design. 5. Tests for envelope-directed fragment placement based on molecular similarity
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/10.1016/s1093-3263(00)00062-0openalex-snapshot
Synergy between combinatorial chemistry and de novo design
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/10.1080/08927022.2011.590984openalex-snapshot
Role of invariant water molecules in retaining the active site geometry of β-lactamase: a molecular dynamics simulation study
inferred← citeshttps://doi.org/10.2174/138620712799361825openalex-snapshot
Computer-Aided Drug Design: Lead Discovery and Optimization
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