Representation of target-bound drugs by computed conformers: implications for conformational libraries. - Wikidata - wikimedia - TriplyDB

Representation of target-bound drugs by computed conformers: implications for conformational libraries.

Representation of target-bound drugs by computed conformers: implications for conformational libraries.

http://www.wikidata.org/entity/Q33246297

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SuperSweet--a resource on natural and artificial sweetening agents Drug Promiscuity in PDB: Protein Binding Site Similarity Is Key Promiscuity and the conformational rearrangement of drug-like molecules: insight from the protein data bank.Computational ligand-based rational design: Role of conformational sampling and force fields in model development.Novel approach for efficient pharmacophore-based virtual screening: method and applications.Biasing conformational ensembles towards bioactive-like conformers for ligand-based drug design.Molecular Docking, Molecular Dynamics, and Structure-Activity Relationship Explorations of 14-Oxygenated N-Methylmorphinan-6-ones as Potent μ-Opioid Receptor Agonists.Dynamic clustering threshold reduces conformer ensemble size while maintaining a biologically relevant ensemble.How Diverse Are the Protein-Bound Conformations of Small-Molecule Drugs and Cofactors?

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P2860

Representation of target-bound drugs by computed conformers: implications for conformational libraries.

http://www.wikidata.org/entity/Q33246297

description

2006 nî lūn-bûn

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2006 թուականի Յունիսին հրատարակուած գիտական յօդուած

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2006 թվականի հունիսին հրատարակված գիտական հոդված

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2006年の論文

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2006年論文

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2006年論文

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2006年論文

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2006年論文

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2006年論文

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2006年论文

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Representation of target-bound ...... for conformational libraries.

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Representation of target-bound ...... for conformational libraries.

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P2860

The Protein Data Bank

A database of macromolecular motions

Novel curcumin- and emodin-related compounds identified by in silico 2D/3D conformer screening induce apoptosis in tumor cells

SuperLigands - a database of ligand structures derived from the Protein Data Bank

High-resolution crystal structures of Erythrina cristagalli lectin in complex with lactose and 2'-alpha-L-fucosyllactose and correlation with thermodynamic binding data

Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings

Protein structure and enzyme action.

Receptor flexibility in de novo ligand design and docking.

Drug design strategies for targeting G-protein-coupled receptors.

STRAP: editor for STRuctural Alignments of Proteins.

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