about
Morphing methods to visualize coarse-grained protein dynamics.Can morphing methods predict intermediate structures?RNA polymerase II trigger loop residues stabilize and position the incoming nucleotide triphosphate in transcription.Millisecond dynamics of RNA polymerase II translocation at atomic resolutionConformation guides molecular efficacy in docking screens of activated β-2 adrenergic G protein coupled receptorOptimized torsion-angle normal modes reproduce conformational changes more accurately than cartesian modes.Structure-based ligand discovery for the protein-protein interface of chemokine receptor CXCR4Muscarinic receptors as model targets and antitargets for structure-based ligand discovery.How hydrophobic buckminsterfullerene affects surrounding water structure.SAMPL4 & DOCK3.7: lessons for automated docking procedures.Structures of mGluRs shed light on the challenges of drug development of allosteric modulators.GPCR-Bench: A Benchmarking Set and Practitioners' Guide for G Protein-Coupled Receptor Docking.Selective Negative Allosteric Modulation Of Metabotropic Glutamate Receptors – A Structural Perspective of Ligands and Mutants.Structure-based discovery of selective positive allosteric modulators of antagonists for the M2 muscarinic acetylcholine receptor.Decoding the Role of Water Dynamics in Ligand-Protein Unbinding: CRF1R as a Test Case.High end GPCR design: crafted ligand design and druggability analysis using protein structure, lipophilic hotspots and explicit water networks.Selectivity Challenges in Docking Screens for GPCR Targets and Antitargets.
P50
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P50
name
Dahlia R Weiss
@en
type
label
Dahlia R Weiss
@en
prefLabel
Dahlia R Weiss
@en