Structural interaction fingerprint (SIFt): a novel method for analyzing three-dimensional protein-ligand binding interactions.
about
Delineation of Polypharmacology across the Human Structural Kinome Using a Functional Site Interaction Fingerprint ApproachDiscovery of Mer kinase inhibitors by virtual screening using Structural Protein-Ligand Interaction Fingerprints.In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor ActivityCrystal structure analysis of EstA from Arthrobacter sp. Rue61a--an insight into catalytic promiscuityMultiple conformational states in retrospective virtual screening – homology models vs. crystal structures: beta-2 adrenergic receptor case studyCombining docking with pharmacophore filtering for improved virtual screeningCharacterization of small molecule binding. I. Accurate identification of strong inhibitors in virtual screeningProteochemometric modeling of the bioactivity spectra of HIV-1 protease inhibitors by introducing protein-ligand interaction fingerprintMethod for comparing the structures of protein ligand-binding sites and application for predicting protein-drug interactions.In silico functional dissection of saturation mutagenesis: Interpreting the relationship between phenotypes and changes in protein stability, interactions and activity.CSAR benchmark exercise 2011-2012: evaluation of results from docking and relative ranking of blinded congeneric seriesStructural protein-ligand interaction fingerprints (SPLIF) for structure-based virtual screening: method and benchmark study.Improved pose and affinity predictions using different protocols tailored on the basis of data availability.Alignment of non-covalent interactions at protein-protein interfaces.Residue preference mapping of ligand fragments in the Protein Data BankAnalysis of protein-protein docking decoys using interaction fingerprints: application to the reconstruction of CaM-ligand complexesTSCC: Two-Stage Combinatorial Clustering for virtual screening using protein-ligand interactions and physicochemical features.Recent trends and observations in the design of high-quality screening collections.Enhance the performance of current scoring functions with the aid of 3D protein-ligand interaction fingerprints.The structure of active opsin as a basis for identification of GPCR agonists by dynamic homology modelling and virtual screening assays.SimiCon: a web tool for protein-ligand model comparison through calculation of equivalent atomic contacts.Discovering patterns in drug-protein interactions based on their fingerprints.GSA: a GPU-accelerated structure similarity algorithm and its application in progressive virtual screening.Advances in fragment-based drug discovery platforms.Pharmacophore modelling: applications in drug discovery.Virtual screening of chemical libraries for drug discovery.Polyphony: superposition independent methods for ensemble-based drug discovery.Re-docking scheme for generating near-native protein complexes by assembling residue interaction fingerprintsReassessment of the unique mode of binding between angiotensin II type 1 receptor and their blockersImplementation and evaluation of a docking-rescoring method using molecular footprint comparisonsProtein kinase-inhibitor database: structural variability of and inhibitor interactions with the protein kinase P-loop.SInCRe-structural interactome computational resource for Mycobacterium tuberculosis.An overview of molecular fingerprint similarity search in virtual screening.Discovery of small molecule inhibitors of MyD88-dependent signaling pathways using a computational screenArpeggio: A Web Server for Calculating and Visualising Interatomic Interactions in Protein StructuresIn silico approaches and chemical space of anti-P-type ATPase compounds for discovering new antituberculous drugs.Virtual High-Throughput Screening for Matrix Metalloproteinase Inhibitors.Ligand-guided homology modelling of the GABAB2 subunit of the GABAB receptor.Chemogenomic approaches to rational drug designThe binding sites for benztropines and dopamine in the dopamine transporter overlap.
P2860
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P2860
Structural interaction fingerprint (SIFt): a novel method for analyzing three-dimensional protein-ligand binding interactions.
description
2004 nî lūn-bûn
@nan
2004 թուականի Յունուարին հրատարակուած գիտական յօդուած
@hyw
2004 թվականի հունվարին հրատարակված գիտական հոդված
@hy
2004年の論文
@ja
2004年論文
@yue
2004年論文
@zh-hant
2004年論文
@zh-hk
2004年論文
@zh-mo
2004年論文
@zh-tw
2004年论文
@wuu
name
Structural interaction fingerp ...... n-ligand binding interactions.
@ast
Structural interaction fingerp ...... n-ligand binding interactions.
@en
type
label
Structural interaction fingerp ...... n-ligand binding interactions.
@ast
Structural interaction fingerp ...... n-ligand binding interactions.
@en
prefLabel
Structural interaction fingerp ...... n-ligand binding interactions.
@ast
Structural interaction fingerp ...... n-ligand binding interactions.
@en
P2093
P356
P1476
Structural interaction fingerp ...... n-ligand binding interactions.
@en
P2093
Claudio Chuaqui
Juswinder Singh
P304
P356
10.1021/JM030331X
P407
P577
2004-01-01T00:00:00Z