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QUASI: A Novel Method for Simultaneous Superposition of Multiple Flexible Ligands and Virtual Screening Using Partial Similarity

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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

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Computer‐Assisted Lead Finding and Optimization

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A Fast Flexible Docking Method using an Incremental Construction Algorithm

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A genetic algorithm for flexible molecular overlay and pharmacophore elucidation

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Molecular structure matching by simulated annealing. III. The incorporation of null correspondences into the matching problem

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A fast new approach to pharmacophore mapping and its application to dopaminergic and benzodiazepine agonists

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Receptor biochemistry and methodology

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A geometric approach to macromolecule-ligand interactions

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Crystal structures of Escherichia coli and Lactobacillus casei dihydrofolate reductase refined at 1.7 A resolution. I. General features and binding of methotrexate.

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Hammerhead: fast, fully automated docking of flexible ligands to protein binding sites

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Isomorphous Crystal Structures of Escherichia coli Dihydrofolate Reductase Complexed with Folate, 5-Deazafolate, and 5,10-Dideazatetrahydrofolate: Mechanistic Implications

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Solution Structure of Bound Trimethoprim in Its Complex with Lactobacillus casei Dihydrofolate Reductase

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Multiple Flexible Alignment with SEAL: A Study of Molecules Acting on the Colchicine Binding Site

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2D Conformationally Sampled Pharmacophore: A Ligand-Based Pharmacophore To Differentiate δ Opioid Agonists from Antagonists

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GRid-INdependent Descriptors (GRIND): A Novel Class of Alignment-Independent Three-Dimensional Molecular Descriptors

inferredcites →https://doi.org/10.1021/jm001044lopenalex-snapshot

Protein-Based Virtual Screening of Chemical Databases. 1. Evaluation of Different Docking/Scoring Combinations

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Pharmacophore Mapping of a Series of 2,4-Diamino-5-deazapteridine Inhibitors of Mycobacterium avium Complex Dihydrofolate Reductase

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Mapping Property Distributions of Molecular Surfaces: Algorithm and Evaluation of a Novel 3D Quantitative Structure−Activity Relationship Technique

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High-Affinity Inhibitors of Dihydrofolate Reductase: Antimicrobial and Anticancer Activities of 7,8-Dialkyl-1,3-diaminopyrrolo[3,2-f]quinazolines with Small Molecular Size

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SQ: A Program for Rapidly Producing Pharmacophorically Relevent Molecular Superpositions

inferredcites →https://doi.org/10.1021/jm981037lopenalex-snapshot

F lex S: A Method for Fast Flexible Ligand Superposition

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A novel method of aligning molecules by local surface shape similarity

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A molecular-field-based similarity study of non-nucleoside HIV-1 reverse transcriptase inhibitors. 2. The relationship between alignment solutions obtained from conformationally rigid and flexible matching

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Computational methods for the structural alignment of molecules

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A pharmacophore model for dopamine D4 receptor antagonists

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FLASHFLOOD: A 3D Field-based similarity search and alignment method for flexible molecules

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Stochastic Tunneling Approach for Global Minimization of Complex Potential Energy Landscapes

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A solution for the best rotation to relate two sets of vectors

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Optimization by Simulated Annealing

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Bone Cell Differentiation and Growth Factors

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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Selective Optimization of Side Activities (SOSA): A Promising way for Drug Discovery

inferred← citeshttps://doi.org/10.1002/9783527633326.ch5openalex-snapshot

Pharmacophore Models for Virtual Screening

inferred← citeshttps://doi.org/10.1002/chin.200733224openalex-snapshot

QUASI: A Novel Method for Simultaneous Superposition of Multiple Flexible Ligands and Virtual Screening Using Partial Similarity.

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Pharmacophores in Drug Research

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Small molecule superposition: A comprehensive overview on pose scoring of the latest methods

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Pharmacophore-Based Virtual Screening

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Development and validation of an improved algorithm for overlaying flexible molecules

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2/3D Pharmacophore Definitions and Their Application

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2/3D Pharmacophore definitions and their application

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Beware of docking!

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pharmACOphore: Multiple Flexible Ligand Alignment Based on Ant Colony Optimization

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Training a Scoring Function for the Alignment of Small Molecules

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Technique for Generating Three-Dimensional Alignments of Multiple Ligands from One-Dimensional Alignments

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Predicting the Accuracy of Ligand Overlay Methods with Random Forest Models

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Flexible Alignment of Small Molecules Using the Penalty Method

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Three-Dimensional Pharmacophore Methods in Drug Discovery

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Pharmacophore Models in Drug Design

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Hierarchical Structure-Based Virtual Screening for Drug Design

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A universal algorithm for finding the shortest distance between systems of points

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pharmACOphore: multiple flexible ligand alignment based on ant colony optimization

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Pharmacophore Mapping: An Important Tool in Modern Drug Design and Discovery

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