The flexible pocketome engine for structural chemogenomics.
about
How special is the biochemical function of native proteins?Systematic exploitation of multiple receptor conformations for virtual ligand screeningCan the energy gap in the protein-ligand binding energy landscape be used as a descriptor in virtual ligand screening?Privileged Structures Revisited.Methods of protein structure comparison.Prediction of ligand-binding sites of proteins by molecular docking calculation for a random ligand libraryA protein sequence meta-functional signature for calcium binding residue prediction.Pocketome: an encyclopedia of small-molecule binding sites in 4DMolecular recognition in the case of flexible targets.Molecular mechanism of serotonin transporter inhibition elucidated by a new flexible docking protocol.Historeceptomic Fingerprints for Drug-Like Compounds.Challenges and advances in computational docking: 2009 in review.PeptiSite: a structural database of peptide binding sites in 4D.Identifying ligands at orphan GPCRs: current status using structure-based approaches.Allosteric modulation model of the mu opioid receptor by herkinorin, a potent not alkaloidal agonist.Docking to multiple pockets or ligand fields for screening, activity prediction and scaffold hopping.Role of the Second Extracellular Loop of the Adenosine A1 Receptor on Allosteric Modulator Binding, Signaling, and Cooperativity.Ligand binding and subtype selectivity of the human A(2A) adenosine receptor: identification and characterization of essential amino acid residues.Novel cGMP efflux inhibitors identified by virtual ligand screening (VLS) and confirmed by experimental studies.Recipes for the selection of experimental protein conformations for virtual screening.HDAC8 and STAT3 repress BMF gene activity in colon cancer cells.Status of GPCR modeling and docking as reflected by community-wide GPCR Dock 2010 assessment.Extracellular Loop 2 of the Adenosine A1 Receptor Has a Key Role in Orthosteric Ligand Affinity and Agonist Efficacy.
P2860
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P2860
The flexible pocketome engine for structural chemogenomics.
description
2009 nî lūn-bûn
@nan
2009 թուականի Յունուարին հրատարակուած գիտական յօդուած
@hyw
2009 թվականի հունվարին հրատարակված գիտական հոդված
@hy
2009年の論文
@ja
2009年論文
@yue
2009年論文
@zh-hant
2009年論文
@zh-hk
2009年論文
@zh-mo
2009年論文
@zh-tw
2009年论文
@wuu
name
The flexible pocketome engine for structural chemogenomics.
@ast
The flexible pocketome engine for structural chemogenomics.
@en
The flexible pocketome engine for structural chemogenomics.
@nl
type
label
The flexible pocketome engine for structural chemogenomics.
@ast
The flexible pocketome engine for structural chemogenomics.
@en
The flexible pocketome engine for structural chemogenomics.
@nl
prefLabel
The flexible pocketome engine for structural chemogenomics.
@ast
The flexible pocketome engine for structural chemogenomics.
@en
The flexible pocketome engine for structural chemogenomics.
@nl
P2860
P1476
The flexible pocketome engine for structural chemogenomics.
@en
P2093
Irina Kufareva
P2860
P304
P356
10.1007/978-1-60761-274-2_11
P407
P577
2009-01-01T00:00:00Z