These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.
167 related articles for article (PubMed ID: 30707580)
1. BCL::MolAlign: Three-Dimensional Small Molecule Alignment for Pharmacophore Mapping. Brown BP; Mendenhall J; Meiler J J Chem Inf Model; 2019 Feb; 59(2):689-701. PubMed ID: 30707580 [TBL] [Abstract][Full Text] [Related]
2. General Purpose Structure-Based Drug Discovery Neural Network Score Functions with Human-Interpretable Pharmacophore Maps. Brown BP; Mendenhall J; Geanes AR; Meiler J J Chem Inf Model; 2021 Feb; 61(2):603-620. PubMed ID: 33496578 [TBL] [Abstract][Full Text] [Related]
3. MolAlign: an algorithm for aligning multiple small molecules. Chan SL J Comput Aided Mol Des; 2017 Jun; 31(6):523-546. PubMed ID: 28573347 [TBL] [Abstract][Full Text] [Related]
4. BCL::Conf: Improved Open-Source Knowledge-Based Conformation Sampling Using the Crystallography Open Database. Mendenhall J; Brown BP; Kothiwale S; Meiler J J Chem Inf Model; 2021 Jan; 61(1):189-201. PubMed ID: 33351632 [TBL] [Abstract][Full Text] [Related]
5. Using the multi-objective optimization replica exchange Monte Carlo enhanced sampling method for protein-small molecule docking. Wang H; Liu H; Cai L; Wang C; Lv Q BMC Bioinformatics; 2017 Jul; 18(1):327. PubMed ID: 28693470 [TBL] [Abstract][Full Text] [Related]
7. ClusPro LigTBM: Automated Template-based Small Molecule Docking. Alekseenko A; Kotelnikov S; Ignatov M; Egbert M; Kholodov Y; Vajda S; Kozakov D J Mol Biol; 2020 May; 432(11):3404-3410. PubMed ID: 31863748 [TBL] [Abstract][Full Text] [Related]
8. MED-3DMC: a new tool to generate 3D conformation ensembles of small molecules with a Monte Carlo sampling of the conformational space. Sperandio O; Souaille M; Delfaud F; Miteva MA; Villoutreix BO Eur J Med Chem; 2009 Apr; 44(4):1405-9. PubMed ID: 19022539 [TBL] [Abstract][Full Text] [Related]
9. Ligand aligning method for molecular docking: alignment of property-weighted vectors. Joung JY; Nam KY; Cho KH; No KT J Chem Inf Model; 2012 Apr; 52(4):984-95. PubMed ID: 22471323 [TBL] [Abstract][Full Text] [Related]
10. Cheminformatics Tools for Analyzing and Designing Optimized Small-Molecule Collections and Libraries. Moret N; Clark NA; Hafner M; Wang Y; Lounkine E; Medvedovic M; Wang J; Gray N; Jenkins J; Sorger PK Cell Chem Biol; 2019 May; 26(5):765-777.e3. PubMed ID: 30956147 [TBL] [Abstract][Full Text] [Related]