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Flexible Docking of Ligands into Synthetic Receptors Using a Two-Sided Incremental Construction Algorithm

https://doi.org/10.1021/ci060072v
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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/(sici)1096-987x(19981115)19:14<1639::aid-jcc10>3.0.co;2-bopenalex-snapshot
Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function
inferredcites →https://doi.org/10.1002/(sici)1521-3773(19990917)38:18<2756::aid-anie2756>3.0.co;2-6openalex-snapshot
A Rational Approach to Selective Recognition of NH4+ over K+
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The Sting of the Scorpion: A Metallaboratrane
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First Artificial Receptor for Caffeine—A New Concept for the Complexation of Alkylated Oxopurines
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Calcium-Catalyzed Selective and Quantitative Transformation of CH4 and CO into Acetic Acid
inferredcites →https://doi.org/10.1002/anie.200461586openalex-snapshot
Guanine Quartet Networks Stabilized by Cooperative Hydrogen Bonds
inferredcites →https://doi.org/10.1002/anie.200462702openalex-snapshot
A Color Sensor for Catecholamines
inferredcites →https://doi.org/10.1002/jcc.540130311openalex-snapshot
Molecular docking using shape descriptors
inferredcites →https://doi.org/10.1006/jmbi.1996.0477openalex-snapshot
A Fast Flexible Docking Method using an Incremental Construction Algorithm
inferredcites →https://doi.org/10.1006/jmbi.1996.0897openalex-snapshot
Development and validation of a genetic algorithm for flexible docking 1 1Edited by F. E. Cohen
inferredcites →https://doi.org/10.1006/jmbi.2001.4551openalex-snapshot
FlexE: efficient molecular docking considering protein structure variations
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/s0040-4020(01)85331-xopenalex-snapshot
Molecular structures of host-guest complexes with Rebek's Diacid
inferredcites →https://doi.org/10.1021/ci050467zopenalex-snapshot
Fully Automated Flexible Docking of Ligands into Flexible Synthetic Receptors Using Forward and Inverse Docking Strategies
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From atoms and bonds to three-dimensional atomic coordinates: automatic model builders
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Bis(alkylguanidinium) receptors for phosphodiesters: effect of counterions, solvent mixtures, and cavity flexibility on complexation
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Molecular recognition: a remarkably simple receptor for the selective complexation of dicarboxylic acids
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Far ultraviolet resonance Raman scattering. Highly excited torsional levels of ethylene
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Selective Binding of cis-1,3,5-Cyclohexane Tricarboxylic Acid vs Its Epimeric trans Isomer by a Tripodal Amidopyridine Receptor; Crystal Structures of the 1:1 Complexes
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Cyclodextrin-based pharmaceutics: past, present and future
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The effect of preorganisation on the solid state behaviour of simple ‘aromatic-cored’ bis(guanidinium) sulfatesElectronic supplementary information (ESI) available: full details of crystallographic data collection for compounds 2·H2SO4 and 3·H2SO4·2H2O. See…
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Molecular Diffuse Interstellar Band Carriers in the Red Rectangle
inferredcites →https://doi.org/10.1145/362342.362367openalex-snapshot
Algorithm 457: finding all cliques of an undirected graph
inferredcites →https://doi.org/10.1145/362342.362369openalex-snapshot
Remark on Algorithm 323: Generation of Permutations in Lexicographic Order [G6]
inferredcites →https://doi.org/10.1146/annurev.biophys.32.110601.142532openalex-snapshot
Molecular Recognition and Docking Algorithms
inferredcites →https://doi.org/10.1201/9781420028775openalex-snapshot
Virtual Screening in Drug Discovery
inferredcites →https://doi.org/10.3109/10799899909036635openalex-snapshot
Chance Favors the Prepared Mind - From Serendipity to Rational 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/chem.200700661openalex-snapshot
Improved Cyclodextrin‐Based Receptors for Camptothecin by Inverse Virtual Screening
inferred← citeshttps://doi.org/10.1002/chin.200641213openalex-snapshot
Flexible Docking of Ligands into Synthetic Receptors Using a Two‐Sided Incremental Construction Algorithm.
inferred← citeshttps://doi.org/10.1007/978-1-60761-157-8_23openalex-snapshot
Bioinformatical Approaches to Detect and Analyze Protein Interactions
inferred← citeshttps://doi.org/10.1007/s10822-017-0030-9openalex-snapshot
GalaxyDock BP2 score: a hybrid scoring function for accurate protein–ligand docking
inferred← citeshttps://doi.org/10.1016/j.biopha.2016.04.057openalex-snapshot
In silico screening of novel inhibitors of M17 Leucine Amino Peptidase (LAP) of Plasmodium vivax as therapeutic candidate
inferred← citeshttps://doi.org/10.1021/ci7004669openalex-snapshot
AIScore — Chemically Diverse Empirical Scoring Function Employing Quantum Chemical Binding Energies of Hydrogen-Bonded Complexes
inferred← citeshttps://doi.org/10.1021/cr800551wopenalex-snapshot
Theory of Free Energy and Entropy in Noncovalent Binding
inferred← citeshttps://doi.org/10.1039/9781849735377-00223openalex-snapshot
Accounting for Target Flexibility During Ligand–Receptor Docking
inferred← citeshttps://doi.org/10.1039/d0ra06690gopenalex-snapshot
Surface refined Au Quercetin nanoconjugate stimulates dermal cell migration: possible implication in wound healing
inferred← citeshttps://doi.org/10.1111/j.1749-6632.2010.05859.xopenalex-snapshot
Structure‐based design of anti‐infectives
inferred← citeshttps://doi.org/10.1371/journal.pone.0138957openalex-snapshot
Identification and Validation of a Potent Dual Inhibitor of the P. falciparum M1 and M17 Aminopeptidases Using Virtual Screening
inferred← citeshttps://doi.org/10.2174/1568026620666200618123026openalex-snapshot
Identification of Potential Inhibitors for Targets Involved in Dengue Fever
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