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Pharmmaker: Pharmacophore modeling and hit identification based on druggability simulations

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What this work says

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

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SuperStar: A Knowledge-based Approach for Identifying Interaction Sites in Proteins

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Computer-Aided Drug Design Methods

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Site-Identification by Ligand Competitive Saturation (SILCS) assisted pharmacophore modeling

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VMD: Visual molecular dynamics

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CHARMM additive and polarizable force fields for biophysics and computer-aided drug design

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Use of ligand-based pharmacophore modeling and docking approach to find novel acetylcholinesterase inhibitors for treating Alzheimer's

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N-Substituted pyrrolidines and tetrahydrofurans as novel AMPAR positive modulators

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Allosteric Modulation of Intact γ-Secretase Structural Dynamics

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Measurement of Conformational Changes accompanying Desensitization in an Ionotropic Glutamate Receptor

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Activation and Desensitization Mechanism of AMPA Receptor-TARP Complex by Cryo-EM

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Structural Proof of a Dimeric Positive Modulator Bridging Two Identical AMPA Receptor-Binding Sites

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Machine learning in chemoinformatics and drug discovery

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Normal mode analysis as a prerequisite for drug design: Application to matrix metalloproteinases inhibitors

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Structural Bases of Desensitization in AMPA Receptor-Auxiliary Subunit Complexes

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Druggability Simulations and X-Ray Crystallography Reveal a Ligand-Binding Site in the GluA3 AMPA Receptor N-Terminal Domain

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MixMD Probeview: Robust Binding Site Prediction from Cosolvent Simulations

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Free Energies and Entropies of Binding Sites Identified by MixMD Cosolvent Simulations

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7-Phenoxy-Substituted 3,4-Dihydro-2 H -1,2,4-benzothiadiazine 1,1-Dioxides as Positive Allosteric Modulators of α-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic Acid (AMPA) Receptors with Nanomolar Potency

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Moving Beyond Active-Site Detection: MixMD Applied to Allosteric Systems

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ZINCPharmer: pharmacophore search of the ZINC database

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iGNM 2.0: the Gaussian network model database for biomolecular structural dynamics

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The ChEMBL database in 2017

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Pharmit: interactive exploration of chemical space

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Computational Fragment-Based Binding Site Identification by Ligand Competitive Saturation

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

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