Docking Rigid Macrocycles Using Convex-Pl, AutoDock Vina, and RDKit in the D3R Grand Challenge 4

Journal of Computer-Aided Molecular Design - Netherlands
doi 10.1007/s10822-019-00263-3
Full Text
Abstract

Available in full text

Date
Authors
Publisher

Springer Science and Business Media LLC

Related search

Docking of Small Molecules to Farnesoid X Receptors Using AutoDock Vina With the Convex-Pl Potential: Lessons Learned From D3R Grand Challenge 2

Journal of Computer-Aided Molecular Design
Theoretical ChemistryDrug DiscoveryComputer Science ApplicationsPhysical
2017English

Comparison of Ligand Affinity Ranking Using AutoDock-GPU and MM-GBSA Scores in the D3R Grand Challenge 4

2019English

Vinardo: A Scoring Function Based on Autodock Vina Improves Scoring, Docking, and Virtual Screening

PLoS ONE
Multidisciplinary
2016English

Evolution Predicting the Efficacy of Akt Inhibitors Using AutoDock Vina Software

Journal of Garmian University
2019English

VSDK: Virtual Screening of Small Molecules Using AutoDock Vina on Windows Platform

Bioinformation
2011English

Blinded Predictions of Binding Modes and Energies of HSP90-α Ligands for the 2015 D3R Grand Challenge

Bioorganic and Medicinal Chemistry
Organic ChemistryMolecular MedicineMolecular BiologyBiochemistryClinical BiochemistryPharmaceutical ScienceDrug Discovery
2016English

Large Scale Free Energy Calculations for Blind Predictions of Protein–ligand Binding: The D3R Grand Challenge 2015

Journal of Computer-Aided Molecular Design
Theoretical ChemistryDrug DiscoveryComputer Science ApplicationsPhysical
2016English

Parameter Optimization and Virtual Screening Indonesian Herbal Database as Human Immunodeficiency Virus -1 Integrase Inhibitor Using Autodock and Vina

International Journal of Applied Pharmaceutics
Pharmaceutical Science
2017English

Computational Protein–ligand Docking and Virtual Drug Screening With the AutoDock Suite

Nature Protocols
BiochemistryGeneticsMolecular Biology
2016English

Amanote Research

Note-taking for researchers

Follow Amanote

© 2024 Amaplex Software S.P.R.L. All rights reserved.

Privacy PolicyRefund Policy