Knowledge-guided docking: accurate prospective prediction of bound configurations of novel ligands using Surflex-Dock. - Test2 - elhamkhani - TriplyDB

Knowledge-guided docking: accurate prospective prediction of bound configurations of novel ligands using Surflex-Dock.

Knowledge-guided docking: accurate prospective prediction of bound configurations of novel ligands using Surflex-Dock.

http://www.wikidata.org/entity/Q35621988

about

Synergistic antibacterial effects of herbal extracts and antibiotics on methicillin-resistant Staphylococcus aureus: A computational and experimental study.ForceGen 3D structure and conformer generation: from small lead-like molecules to macrocyclic drugs.Biophysical exploration of protein-flavonol recognition: effects of molecular properties and conformational flexibility.Evaluation of Docking Target Functions by the Comprehensive Investigation of Protein-Ligand Energy Minima Machine Learning Consensus Scoring Improves Performance Across Targets in Structure-Based Virtual Screening.Allosteric Modulation of Intact γ-Secretase Structural Dynamics.A Chemical Probe Strategy for Interrogating Inhibitor Selectivity Across the MEK Kinase Family.Disruptor of telomeric silencing 1-like (DOT1L): disclosing a new class of non-nucleoside inhibitors by means of ligand-based and structure-based approaches.A pose prediction approach based on ligand 3D shape similarity.Ranking Enzyme Structures in the PDB by Bound Ligand Similarity to Biological Substrates.

P2860

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P2860

Knowledge-guided docking: accurate prospective prediction of bound configurations of novel ligands using Surflex-Dock.

http://www.wikidata.org/entity/Q35621988

description

2015 nî lūn-bûn

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2015年の論文

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2015年論文

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2015年論文

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2015年論文

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Knowledge-guided docking: accu ...... el ligands using Surflex-Dock.

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Knowledge-guided docking: accu ...... el ligands using Surflex-Dock.

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Knowledge-guided docking: accu ...... el ligands using Surflex-Dock.

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Knowledge-guided docking: accu ...... el ligands using Surflex-Dock.

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Knowledge-guided docking: accu ...... el ligands using Surflex-Dock.

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Knowledge-guided docking: accu ...... el ligands using Surflex-Dock.

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S10822-015-9846-3

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Journal of Computer - Aided Molecular Design

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Knowledge-guided docking: accu ...... el ligands using Surflex-Dock.

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Ajay N Jain

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Ann E Cleves

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P2860

The Protein Data Bank

Structural basis for the activation of PPARgamma by oxidized fatty acids

Molecular Shape and Medicinal Chemistry: A Perspective

Surflex: fully automatic flexible molecular docking using a molecular similarity-based search engine

Development and validation of a genetic algorithm for flexible docking

Glide: a new approach for rapid, accurate docking and scoring. 1. Method and assessment of docking accuracy

Lead Finder docking and virtual screening evaluation with Astex and DUD test sets

Docking performance of the glide program as evaluated on the Astex and DUD datasets: a complete set of glide SP results and selected results for a new scoring function integrating WaterMap and glide

Recommendations for evaluation of computational methods

A critical assessment of docking programs and scoring functions

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s10822-015-9846-3

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485-509

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scholarly article

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10.1007/S10822-015-9846-3

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6

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