Using Ligand-Mapping Simulations to Design a Ligand Selectively Targeting a Cryptic Surface Pocket of Polo-Like Kinase 1
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Revealing Atomic-Level Mechanisms of Protein Allostery with Molecular Dynamics SimulationsTargeting YAP/TAZ-TEAD protein-protein interactions using fragment-based and computational modeling approaches.Benzene Probes in Molecular Dynamics Simulations Reveal Novel Binding Sites for Ligand Design.Overcoming Chemical, Biological, and Computational Challenges in the Development of Inhibitors Targeting Protein-Protein Interactions.A three-stage biophysical screening cascade for fragment-based drug discovery.Inclusion of multiple fragment types in the site identification by ligand competitive saturation (SILCS) approachBinding hotspots on K-ras: consensus ligand binding sites and other reactive regions from probe-based molecular dynamics analysis.Site Identification by Ligand Competitive Saturation (SILCS) simulations for fragment-based drug designInhibitors of the Polo-Box Domain of Polo-Like Kinase 1.Unveiling a novel transient druggable pocket in BACE-1 through molecular simulations: Conformational analysis and binding mode of multisite inhibitors.Recent Advances and New Strategies in Targeting Plk1 for Anticancer TherapyDriving Structure-Based Drug Discovery through Cosolvent Molecular Dynamics.A theoretical view of protein dynamics.Signaling within Allosteric Machines: Signal Transmission Pathways Inside G Protein-Coupled Receptors.The hunt for antimitotic agents: an overview of structure-based design strategies.Computational functional group mapping for drug discovery.Recent Advances and Applications of Molecular Docking to G Protein-Coupled Receptors.Application of oxime-diversification to optimize ligand interactions within a cryptic pocket of the polo-like kinase 1 polo-box domain.Opportunities and Challenges in the Discovery of Allosteric Modulators of GPCRs.Role of the N-terminal lid in regulating the interaction of phosphorylated MDMX with p53.R248Q mutation--Beyond p53-DNA binding.Insights into the RNA binding mechanism of human L1-ORF1p: a molecular dynamics study.Enhancing polo-like kinase 1 selectivity of polo-box domain-binding peptides.
P2860
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P2860
Using Ligand-Mapping Simulations to Design a Ligand Selectively Targeting a Cryptic Surface Pocket of Polo-Like Kinase 1
description
2012 nî lūn-bûn
@nan
2012 թուականի Հոկտեմբերին հրատարակուած գիտական յօդուած
@hyw
2012 թվականի հոտեմբերին 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
Using Ligand-Mapping Simulatio ...... e Pocket of Polo-Like Kinase 1
@ast
Using Ligand-Mapping Simulatio ...... e Pocket of Polo-Like Kinase 1
@en
Using Ligand-Mapping Simulatio ...... e Pocket of Polo-Like Kinase 1
@nl
type
label
Using Ligand-Mapping Simulatio ...... e Pocket of Polo-Like Kinase 1
@ast
Using Ligand-Mapping Simulatio ...... e Pocket of Polo-Like Kinase 1
@en
Using Ligand-Mapping Simulatio ...... e Pocket of Polo-Like Kinase 1
@nl
prefLabel
Using Ligand-Mapping Simulatio ...... e Pocket of Polo-Like Kinase 1
@ast
Using Ligand-Mapping Simulatio ...... e Pocket of Polo-Like Kinase 1
@en
Using Ligand-Mapping Simulatio ...... e Pocket of Polo-Like Kinase 1
@nl
P2093
P2860
P50
P3181
P356
P1476
Using Ligand-Mapping Simulatio ...... e Pocket of Polo-Like Kinase 1
@en
P2093
Christopher J Stubbs
Paweł Śledź
Steffen Lang
Yaw Sing Tan
P2860
P304
P3181
P356
10.1002/ANIE.201205676
P407
P577
2012-10-01T00:00:00Z