On the use of logarithmic scales for analysis of diffraction data

Por Urzhumtsev, Alexandre, Afonine, Pavel V., Adams, Paul D.
Publicado em 2009

TLS from fundamentals to practice

Por Urzhumtsev, Alexandre, Afonine, Pavel V., Adams, Paul D.
Publicado em 2013

From deep TLS validation to ensembles of atomic models built from elemental motions. II. Analysis of TLS refinement results by explicit interpretation

Por Afonine, Pavel V., Adams, Paul D., Urzhumtsev, Alexandre
Publicado no Acta Crystallogr D Struct Biol (2018)

Crystallographic model quality at a glance

Por Urzhumtseva, Ludmila, Afonine, Pavel V., Adams, Paul D., Urzhumtsev, Alexandre
Publicado em 2009

Generalized X-ray and neutron crystallographic analysis: more accurate and complete structures for biological macromolecules

Por Adams, Paul D., Mustyakimov, Marat, Afonine, Pavel V., Langan, Paul
Publicado em 2009

A robust bulk-solvent correction and anisotropic scaling procedure

Por Afonine, Pavel V., Grosse-Kunstleve, Ralf W., Adams, Paul D.
Publicado em 2005

N-{N-[2-(3,5-Difluoro­phenyl)acetyl]-(S)-alanyl}-(S)-phenyl­glycine tert-butyl ester (DAPT): an inhibitor of γ-secretase, revealing fine electronic and hydrogen-bonding features

Por Czerwinski, Andrzej, Valenzuela, Francisco, Afonine, Pavel, Dauter, Miroslawa, Dauter, Zbigniew
Publicado em 2010

The solvent component of macromolecular crystals

Por Weichenberger, Christian X., Afonine, Pavel V., Kantardjieff, Katherine, Rupp, Bernhard
Publicado no Acta Crystallogr D Biol Crystallogr (2015)

Modelling dynamics in protein crystal structures by ensemble refinement

Por Burnley, B Tom, Afonine, Pavel V, Adams, Paul D, Gros, Piet
Publicado em 2012

Programming new geometry restraints: parallelity of atomic groups

Por Sobolev, Oleg V., Afonine, Pavel V., Adams, Paul D., Urzhumtsev, Alexandre
Publicado no J Appl Crystallogr (2015)

Q|R: quantum-based refinement

Por Zheng, Min, Reimers, Jeffrey R., Waller, Mark P., Afonine, Pavel V.
Publicado no Acta Crystallogr D Struct Biol (2017)

Automatic multiple-zone rigid-body refinement with a large convergence radius

Por Afonine, Pavel V., Grosse-Kunstleve, Ralf W., Urzhumtsev, Alexandre, Adams, Paul D.
Publicado em 2009

Averaged kick maps: less noise, more signal…and probably less bias

Por Pražnikar, Jure, Afonine, Pavel V., Gunčar, Gregor, Adams, Paul D., Turk, Dušan
Publicado em 2009

Metrics for comparison of crystallographic maps

Por Urzhumtsev, Alexandre, Afonine, Pavel V., Lunin, Vladimir Y., Terwilliger, Thomas C., Adams, Paul D.
Publicado em 2014

From deep TLS validation to ensembles of atomic models built from elemental motions

Por Urzhumtsev, Alexandre, Afonine, Pavel V., Van Benschoten, Andrew H., Fraser, James S., Adams, Paul D.
Publicado no Acta Crystallogr D Biol Crystallogr (2015)

From deep TLS validation to ensembles of atomic models built from elemental motions. Addenda and corrigendum

Por Urzhumtsev, Alexandre, Afonine, Pavel V., Van Benschoten, Andrew H., Fraser, James S., Adams, Paul D.
Publicado no Acta Crystallogr D Struct Biol (2016)

On macromolecular refinement at subatomic resolution with interatomic scatterers

Por Afonine, Pavel V., Grosse-Kunstleve, Ralf W., Adams, Paul D., Lunin, Vladimir Y., Urzhumtsev, Alexandre
Publicado em 2007

Evidence of Functional Protein Dynamics from X-Ray Crystallographic Ensembles

Por Kohn, Jonathan E., Afonine, Pavel V., Ruscio, Jory Z., Adams, Paul D., Head-Gordon, Teresa
Publicado em 2010

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

Por Zheng, Min, Moriarty, Nigel W., Xu, Yanting, Reimers, Jeffrey R., Afonine, Pavel V., Waller, Mark P.
Publicado no Acta Crystallogr D Struct Biol (2017)

Joint X-ray and neutron refinement with phenix.refine

Por Afonine, Pavel V., Mustyakimov, Marat, Grosse-Kunstleve, Ralf W., Moriarty, Nigel W., Langan, Paul, Adams, Paul D.
Publicado em 2010