Inclusion of multiple fragment types in the site identification by ligand competitive saturation (SILCS) approach
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Spatial analysis and quantification of the thermodynamic driving forces in protein-ligand binding: binding site variabilitySite Identification by Ligand Competitive Saturation (SILCS) simulations for fragment-based drug designSmall Molecule Inhibitors of Ca(2+)-S100B Reveal Two Protein Conformations.Identifying binding hot spots on protein surfaces by mixed-solvent molecular dynamics: HIV-1 protease as a test caseLessons from Hot Spot Analysis for Fragment-Based Drug Discovery.The FTMap family of web servers for determining and characterizing ligand-binding hot spots of proteins.Structure-based design of N-substituted 1-hydroxy-4-sulfamoyl-2-naphthoates as selective inhibitors of the Mcl-1 oncoprotein.Novel protein-inhibitor interactions in site 3 of Ca(2+)-bound S100B as discovered by X-ray crystallography.Iminoguanidines as Allosteric Inhibitors of the Iron-Regulated Heme Oxygenase (HemO) of Pseudomonas aeruginosa.Characterization of Mg2+ Distributions around RNA in Solution.Driving Structure-Based Drug Discovery through Cosolvent Molecular Dynamics.Computational solvent mapping in structure-based drug design.Computational functional group mapping for drug discovery.Ribosome-Templated Azide-Alkyne Cycloadditions: Synthesis of Potent Macrolide Antibiotics by In Situ Click Chemistry.Direct Comparison of Amino Acid and Salt Interactions with Double-Stranded and Single-Stranded DNA from Explicit-Solvent Molecular Dynamics Simulations.Estimation of relative free energies of binding using pre-computed ensembles based on the single-step free energy perturbation and the site-identification by Ligand competitive saturation approaches.Conformational Preference of Serogroup B Salmonella O Polysaccharide in Presence and Absence of the Monoclonal Antibody Se155-4.Site-Identification by Ligand Competitive Saturation (SILCS) assisted pharmacophore modeling.Sampling of Organic Solutes in Aqueous and Heterogeneous Environments Using Oscillating Excess Chemical Potentials in Grand Canonical-like Monte Carlo-Molecular Dynamics Simulations.Rationally designed BCL6 inhibitors target activated B cell diffuse large B cell lymphoma.Acyl-2-aminobenzimidazoles: a novel class of neuroprotective agents targeting mGluR5Hot-spot identification on a broad class of proteins and RNA suggest unifying principles of molecular recognition.Cyclopropyl-containing positive allosteric modulators of metabotropic glutamate receptor subtype 5.Mapping functional group free energy patterns at protein occluded sites: nuclear receptors and G-protein coupled receptors.Pharmacophore modeling using site-identification by ligand competitive saturation (SILCS) with multiple probe molecules.Predicting Displaceable Water Sites Using Mixed-Solvent Molecular Dynamics.Dynamic Docking: A Paradigm Shift in Computational Drug Discovery.Computer-Aided Drug Design Methods.
P2860
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P2860
Inclusion of multiple fragment types in the site identification by ligand competitive saturation (SILCS) approach
description
2013 nî lūn-bûn
@nan
2013 թուականի Նոյեմբերին հրատարակուած գիտական յօդուած
@hyw
2013 թվականի նոյեմբերին հրատարակված գիտական հոդված
@hy
2013年の論文
@ja
2013年論文
@yue
2013年論文
@zh-hant
2013年論文
@zh-hk
2013年論文
@zh-mo
2013年論文
@zh-tw
2013年论文
@wuu
name
Inclusion of multiple fragment ...... ve saturation (SILCS) approach
@en
type
label
Inclusion of multiple fragment ...... ve saturation (SILCS) approach
@en
prefLabel
Inclusion of multiple fragment ...... ve saturation (SILCS) approach
@en
P2093
P2860
P356
P1476
Inclusion of multiple fragment ...... ve saturation (SILCS) approach
@en
P2093
E Prabhu Raman
Sirish K Lakkaraju
P2860
P304
P356
10.1021/CI4005628
P577
2013-11-25T00:00:00Z