Training a scoring function for the alignment of small molecules
about
On docking, scoring and assessing protein-DNA complexes in a rigid-body frameworkOptimizing lactose hydrolysis by computer-guided modification of the catalytic site of a wild-type enzyme.Identification of potential trypanothione reductase inhibitors among commercially available [Formula: see text]-carboline derivatives using chemical space, lead-like and drug-like filters, pharmacophore models and molecular docking.Amending HIV Drugs: A Novel Small-Molecule Approach To Target Lupus Anti-DNA AntibodiesTargeted purification development enabled by computational biophysical modeling.Experimental versus predicted affinities for ligand binding to estrogen receptor: iterative selection and rescoring of docked poses systematically improves the correlation.MolAlign: an algorithm for aligning multiple small molecules.Open3DALIGN: an open-source software aimed at unsupervised ligand alignment.Towards a Realistic Representation in Surface-Based Pseudoreceptor Modeling: a PDB-Wide Analysis of Binding Pockets.
P2860
Q28481325-7136DB71-3FD4-4A8B-B878-D807B75EF354Q38316334-C2BAA318-6AEE-4A66-8E80-A177429BBD2EQ39404983-1850E7EF-9958-4DFC-829E-24B024E4D574Q41406224-4B7CAC72-80B0-4B9A-BAB2-25AC6C25E58AQ41720336-191754BD-AD63-44A3-B1D8-894A25927609Q46568237-03A32AA0-3E4B-403E-A00A-9E8DE8125FE7Q47820341-BE37ADB5-AD59-4B63-8679-069076FAF831Q51544926-1E94FFE2-D71C-406F-82C3-2AA98FFBB4CCQ51603763-22B44BFC-2FD8-4064-BB15-57D27DBE68E6
P2860
Training a scoring function for the alignment of small molecules
description
2010 nî lūn-bûn
@nan
2010年の論文
@ja
2010年論文
@yue
2010年論文
@zh-hant
2010年論文
@zh-hk
2010年論文
@zh-mo
2010年論文
@zh-tw
2010年论文
@wuu
2010年论文
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2010年论文
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name
Training a scoring function for the alignment of small molecules
@en
Training a scoring function for the alignment of small molecules
@nl
type
label
Training a scoring function for the alignment of small molecules
@en
Training a scoring function for the alignment of small molecules
@nl
prefLabel
Training a scoring function for the alignment of small molecules
@en
Training a scoring function for the alignment of small molecules
@nl
P2860
P356
P1476
Training a scoring function for the alignment of small molecules
@en
P2093
Paul Labute
Shek Ling Chan
P2860
P304
P356
10.1021/CI100227H
P577
2010-09-01T00:00:00Z