Lista de obras -

Accurate geometries for "mountain pass" regions of the Ramachandran plot using quantum chemical calculations.

artículo científico publicado en 2018

An editor for the generation and customization of geometry restraints.

artículo científico publicado en 2017

Announcing mandatory submission of PDBx/mmCIF format files for crystallographic depositions to the Protein Data Bank (PDB)

scientific article published on 08 April 2019

Arginine off-kilter: guanidinium is not as planar as restraints denote

artículo científico publicado en 2020

Automated ligand fitting by core-fragment fitting and extension into density

artículo científico publicado en 2006

Automated structure solution with the PHENIX suite

artículo científico publicado en 2008

Automating crystallographic structure solution and refinement of protein-ligand complexes.

artículo científico publicado en 2013

Azasugar inhibitors as pharmacological chaperones for Krabbe disease

artículo científico publicado en 2015

Binding Patterns in Single-Ligand Complexes of NH3, H2O, OH-, and F- with First Series Transition Metals ⬇️

artículo científico publicado el 11 de septiembre de 1996

CERES: a cryo-EM re-refinement system for continuous improvement of deposited models

artículo científico publicado en 2021

Decision-making in structure solution using Bayesian estimates of map quality: the PHENIX AutoSol wizard

artículo científico publicado en 2009

Evaluation of models determined by neutron diffraction and proposed improvements to their validation and deposition

scientific article published on 24 July 2018

FEM: feature-enhanced map.

artículo científico publicado en 2015

Flexible torsion-angle noncrystallographic symmetry restraints for improved macromolecular structure refinement

artículo científico publicado en 2014

Graphical tools for macromolecular crystallography in PHENIX

artículo científico publicado en 2012

Improved chemistry restraints for crystallographic refinement by integrating the Amber force field into Phenix

scientific article published on 01 January 2020

Improved ligand geometries in crystallographic refinement using AFITT in PHENIX

artículo científico publicado en 2016

Including crystallographic symmetry in quantum-based refinement: Q|R#2

artículo científico publicado en 2020

Interactive comparison and remediation of collections of macromolecular structures.

artículo científico publicado en 2017

Interpretation of ensembles created by multiple iterative rebuilding of macromolecular models

artículo científico publicado en 2007

Iron-sulfur clusters have no right angles

scientific article published on 04 January 2019

Iterative model building, structure refinement and density modification with the PHENIX AutoBuild wizard

artículo científico publicado en 2008

Iterative-build OMIT maps: map improvement by iterative model building and refinement without model bias

artículo científico publicado en 2008

Ligand identification using electron-density map correlations

artículo científico publicado en 2006

Ligand placement based on prior structures: the guided ligand-replacement method

artículo científico publicado en 2013

Macromolecular structure determination using X-rays, neutrons and electrons: recent developments in Phenix

scientific article published on 02 October 2019

MolProbity: More and better reference data for improved all-atom structure validation

artículo científico publicado en 2017

New tools for the analysis and validation of cryo-EM maps and atomic models

artículo científico publicado en 2018

PHENIX: a comprehensive Python-based system for macromolecular structure solution

artículo científico publicado en 2010

Polder maps: improving OMIT maps by excluding bulk solvent.

scientific article published on February 2017

Real-space quantum-based refinement for cryo-EM: Q|R#3

artículo científico publicado en 2020

Solving the scalability issue in quantum-based refinement: Q|R#1.

artículo científico publicado en 2017

Structural dynamics in the water and proton channels of photosystem II during the S<sub>2</sub> to S<sub>3</sub> transition

artículo científico publicado en 2021

Structure of photosystem II and substrate binding at room temperature.

artículo científico publicado en 2016

Structures of the intermediates of Kok's photosynthetic water oxidation clock

scientific article published in Nature

The Phenix software for automated determination of macromolecular structures

artículo científico publicado en 2011

Towards automated crystallographic structure refinement with phenix.refine

artículo científico publicado en 2012

Untangling the sequence of events during the S2 → S3 transition in photosystem II and implications for the water oxidation mechanism

scientific article published on 20 May 2020

Use of knowledge-based restraints in phenix.refine to improve macromolecular refinement at low resolution

artículo científico publicado en 2012

phenix.model_vs_data: a high-level tool for the calculation of crystallographic model and data statistics

artículo científico publicado en 2010

Lista de obras de

Accurate geometries for "mountain pass" regions of the Ramachandran plot using quantum chemical calculations.

An editor for the generation and customization of geometry restraints.

Announcing mandatory submission of PDBx/mmCIF format files for crystallographic depositions to the Protein Data Bank (PDB)

Arginine off-kilter: guanidinium is not as planar as restraints denote

Automated ligand fitting by core-fragment fitting and extension into density

Automated structure solution with the PHENIX suite

Automating crystallographic structure solution and refinement of protein-ligand complexes.

Azasugar inhibitors as pharmacological chaperones for Krabbe disease

Binding Patterns in Single-Ligand Complexes of NH3, H2O, OH-, and F- with First Series Transition Metals ⬇️

CERES: a cryo-EM re-refinement system for continuous improvement of deposited models

Decision-making in structure solution using Bayesian estimates of map quality: the PHENIX AutoSol wizard

Evaluation of models determined by neutron diffraction and proposed improvements to their validation and deposition

FEM: feature-enhanced map.

Flexible torsion-angle noncrystallographic symmetry restraints for improved macromolecular structure refinement

Graphical tools for macromolecular crystallography in PHENIX

Improved chemistry restraints for crystallographic refinement by integrating the Amber force field into Phenix

Improved ligand geometries in crystallographic refinement using AFITT in PHENIX

Including crystallographic symmetry in quantum-based refinement: Q|R#2

Interactive comparison and remediation of collections of macromolecular structures.

Interpretation of ensembles created by multiple iterative rebuilding of macromolecular models

Iron-sulfur clusters have no right angles

Iterative model building, structure refinement and density modification with the PHENIX AutoBuild wizard

Iterative-build OMIT maps: map improvement by iterative model building and refinement without model bias

Ligand identification using electron-density map correlations

Ligand placement based on prior structures: the guided ligand-replacement method

Macromolecular structure determination using X-rays, neutrons and electrons: recent developments in Phenix

MolProbity: More and better reference data for improved all-atom structure validation

New tools for the analysis and validation of cryo-EM maps and atomic models

PHENIX: a comprehensive Python-based system for macromolecular structure solution

Polder maps: improving OMIT maps by excluding bulk solvent.

Real-space quantum-based refinement for cryo-EM: Q|R#3

Solving the scalability issue in quantum-based refinement: Q|R#1.

Structural dynamics in the water and proton channels of photosystem II during the S<sub>2</sub> to S<sub>3</sub> transition

Structure of photosystem II and substrate binding at room temperature.

Structures of the intermediates of Kok's photosynthetic water oxidation clock

The Phenix software for automated determination of macromolecular structures

Towards automated crystallographic structure refinement with phenix.refine

Untangling the sequence of events during the S2 → S3 transition in photosystem II and implications for the water oxidation mechanism

Use of knowledge-based restraints in phenix.refine to improve macromolecular refinement at low resolution

phenix.model_vs_data: a high-level tool for the calculation of crystallographic model and data statistics