ALiBERO: evolving a team of complementary pocket conformations rather than a single leader.
about
Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discoveryModelling three-dimensional protein structures for applications in drug design.Integrated structure- and ligand-based in silico approach to predict inhibition of cytochrome P450 2D6.The second extracellular loop of the adenosine A1 receptor mediates activity of allosteric enhancersCompound activity prediction using models of binding pockets or ligand properties in 3D.Structure-Based Discovery of New Antagonist and Biased Agonist Chemotypes for the Kappa Opioid ReceptorConcerted dynamic motions of an FABP4 model and its ligands revealed by microsecond molecular dynamics simulationsSMN2 splice modulators enhance U1-pre-mRNA association and rescue SMA mice.In silico identification and pharmacological evaluation of novel endocrine disrupting chemicals that act via the ligand-binding domain of the estrogen receptor α.DOCK 6: Impact of new features and current docking performance.Integration of ligand-based drug screening with structure-based drug screening by combining maximum volume overlapping score with ligand docking.Identification of novel serotonin transporter compounds by virtual screening.From Homology Models to a Set of Predictive Binding Pockets-a 5-HT1A Receptor Case Study.Improvements, trends, and new ideas in molecular docking: 2012-2013 in review.Protein Flexibility in Drug Discovery: From Theory to Computation.Understanding the challenges of protein flexibility in drug design.Identifying ligands at orphan GPCRs: current status using structure-based approaches.The Development of Target-Specific Pose Filter Ensembles To Boost Ligand Enrichment for Structure-Based Virtual Screening.Sampling of conformational ensemble for virtual screening using molecular dynamics simulations and normal mode analysis.Structure-based predictions of activity cliffs.Ligand-biased ensemble receptor docking (LigBEnD): a hybrid ligand/receptor structure-based approach.Improving virtual screening of G protein-coupled receptors via ligand-directed modeling.In Silico Investigation of the Neurotensin Receptor 1 Binding Site: Overlapping Binding Modes for Small Molecule Antagonists and the Endogenous Peptide Agonist.
P2860
Q27684410-5B717930-F731-4703-B063-314866182216Q30355473-B82E25AE-4FAA-4529-8406-099D9A256A4EQ30378479-FBEACAA1-FD88-47E1-AE0A-E1DACF19BA3BQ30408394-6E7719CB-D514-40B5-8C61-30969ED4C1EAQ30423071-DB73046E-7762-49CC-861B-38C1E59F90F7Q33860286-9E7C91B1-4AB3-4B42-A288-8D45D83E49D9Q34337336-62F669C2-037B-42CF-98C4-B7CECDEB54A6Q34478749-E58D6EAA-5259-4F51-82BB-EFC671556961Q34737042-60FC0D02-3DFD-4A3C-AF35-D20411B12E6EQ35748554-4EB10195-49DB-4245-A885-B9B1139744AEQ37277338-CE8B1608-C223-439D-867D-EC4E19215A90Q37695877-89E30E25-A0BC-4154-9672-5EB853FC16A6Q37715929-ADB0C201-6EB9-44FC-AE92-8F095463D4F0Q38390892-D7AEDC28-3335-4C93-A006-83EC66FC95B2Q38428430-E4865896-53C9-4803-9F36-4C18B0A7E6D4Q38594557-2E87CD0B-2D61-404E-812F-73F91CD3650BQ38720041-09378D61-371B-49B5-841D-2AE5D4907BF5Q38782563-4AE1496B-95B2-4CCF-960C-BC9611DC9882Q38939477-422292F1-6EED-4F6E-B413-724FEE42A85EQ42121557-6CC11480-DCD6-4CC3-B46F-9B73A47D901AQ45942240-74BE2CAC-BBC1-4FDD-8795-6C0346999615Q47094111-07C31910-593B-4F35-BBED-1762AA5D1586Q51594469-F6E059F6-F804-4B84-AD27-22DC891CFC02
P2860
ALiBERO: evolving a team of complementary pocket conformations rather than a single leader.
description
2012 nî lūn-bûn
@nan
2012 թուականի Սեպտեմբերին հրատարակուած գիտական յօդուած
@hyw
2012 թվականի սեպտեմբերին հրատարակված գիտական հոդված
@hy
2012年の論文
@ja
2012年論文
@yue
2012年論文
@zh-hant
2012年論文
@zh-hk
2012年論文
@zh-mo
2012年論文
@zh-tw
2012年论文
@wuu
name
ALiBERO: evolving a team of co ...... s rather than a single leader.
@ast
ALiBERO: evolving a team of co ...... s rather than a single leader.
@en
ALiBERO: evolving a team of co ...... s rather than a single leader.
@nl
type
label
ALiBERO: evolving a team of co ...... s rather than a single leader.
@ast
ALiBERO: evolving a team of co ...... s rather than a single leader.
@en
ALiBERO: evolving a team of co ...... s rather than a single leader.
@nl
prefLabel
ALiBERO: evolving a team of co ...... s rather than a single leader.
@ast
ALiBERO: evolving a team of co ...... s rather than a single leader.
@en
ALiBERO: evolving a team of co ...... s rather than a single leader.
@nl
P2860
P356
P1476
ALiBERO: evolving a team of co ...... s rather than a single leader.
@en
P2093
Manuel Rueda
Max Totrov
P2860
P304
P356
10.1021/CI3001088
P577
2012-09-17T00:00:00Z