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Can morphing methods predict intermediate structures?

artículo científico publicado en 2008

Conformation Guides Molecular Efficacy in Docking Screens of Activated β-2 Adrenergic G Protein Coupled Receptor ⬇️

artículo científico publicado el 21 de marzo de 2013

Decoding the Role of Water Dynamics in Ligand-Protein Unbinding: CRF1R as a Test Case

artículo científico publicado en 2015

GPCR-Bench: A Benchmarking Set and Practitioners' Guide for G Protein-Coupled Receptor Docking

artículo científico publicado en 2016

High end GPCR design: crafted ligand design and druggability analysis using protein structure, lipophilic hotspots and explicit water networks.

artículo científico publicado en 2013

How hydrophobic buckminsterfullerene affects surrounding water structure

artículo científico publicado en 2008

Millisecond dynamics of RNA polymerase II translocation at atomic resolution

artículo científico publicado en 2014

Morphing methods to visualize coarse-grained protein dynamics.

artículo científico publicado en 2014

Muscarinic receptors as model targets and antitargets for structure-based ligand discovery

artículo científico publicado en 2013

Optimized torsion-angle normal modes reproduce conformational changes more accurately than cartesian modes

artículo científico publicado en 2011

RNA polymerase II trigger loop residues stabilize and position the incoming nucleotide triphosphate in transcription

artículo científico publicado en 2010

SAMPL4 & DOCK3.7: lessons for automated docking procedures

artículo científico publicado en 2014

Selective Negative Allosteric Modulation Of Metabotropic Glutamate Receptors – A Structural Perspective of Ligands and Mutants

artículo científico publicado en 2015

Selectivity Challenges in Docking Screens for GPCR Targets and Antitargets.

artículo científico publicado en 2018

Structure-based discovery of selective positive allosteric modulators of antagonists for the M2 muscarinic acetylcholine receptor

artículo científico publicado en 2018

Structure-based ligand discovery for the protein–protein interface of chemokine receptor CXCR4 ⬇️

artículo científico publicado el 19 de marzo de 2012

Structures of mGluRs shed light on the challenges of drug development of allosteric modulators

artículo científico publicado en 2014

Lista de obras de

Can morphing methods predict intermediate structures?

Conformation Guides Molecular Efficacy in Docking Screens of Activated β-2 Adrenergic G Protein Coupled Receptor ⬇️

Decoding the Role of Water Dynamics in Ligand-Protein Unbinding: CRF1R as a Test Case

GPCR-Bench: A Benchmarking Set and Practitioners' Guide for G Protein-Coupled Receptor Docking

High end GPCR design: crafted ligand design and druggability analysis using protein structure, lipophilic hotspots and explicit water networks.

How hydrophobic buckminsterfullerene affects surrounding water structure

Millisecond dynamics of RNA polymerase II translocation at atomic resolution

Morphing methods to visualize coarse-grained protein dynamics.

Muscarinic receptors as model targets and antitargets for structure-based ligand discovery

Optimized torsion-angle normal modes reproduce conformational changes more accurately than cartesian modes

RNA polymerase II trigger loop residues stabilize and position the incoming nucleotide triphosphate in transcription

SAMPL4 & DOCK3.7: lessons for automated docking procedures

Selective Negative Allosteric Modulation Of Metabotropic Glutamate Receptors – A Structural Perspective of Ligands and Mutants

Selectivity Challenges in Docking Screens for GPCR Targets and Antitargets.

Structure-based discovery of selective positive allosteric modulators of antagonists for the M2 muscarinic acetylcholine receptor

Structure-based ligand discovery for the protein–protein interface of chemokine receptor CXCR4 ⬇️

Structures of mGluRs shed light on the challenges of drug development of allosteric modulators