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List of works by Jens Thomas

Amorphous PAF-1: Guiding the Rational Design of Ultraporous Materials

article by Jens Thomas & Abbie Trewin published 14 August 2014 in Journal of Physical Chemistry C

Approaches to ab initio molecular replacement of α-helical transmembrane proteins.

scientific article published on 22 November 2017

ConKit: a python interface to contact predictions

scientific article

Crystal Structure of the Nipah Virus Phosphoprotein Tetramerization Domain

scientific article

Electron delocalization in the metallabenzenes: a computational analysis of ring currents

scientific article published on 11 June 2008

Ensembles generated from crystal structures of single distant homologues solve challenging molecular-replacement cases in AMPLE.

scientific article published on 2 March 2018

Exploring the speed and performance of molecular replacement with AMPLE using QUARK ab initio protein models.

scientific article

Extending the scope of coiled-coil crystal structure solution by AMPLE through improved ab initio modelling

scientific article published on 25 February 2020

Large scale ab initio modelling of structurally uncharacterized antimicrobial peptides reveals known and novel folds

scientific article published in February 2018

Novel self-assembled 2D networks based on zinc metal ion co-ordination: synthesis and comparative study with 3D networks

article

Recent developments in MrBUMP: better search-model preparation, graphical interaction with search models, and solution improvement and assessment.

scientific article published on 6 March 2018

Routine phasing of coiled-coil protein crystal structures with AMPLE

scientific article

SIMBAD: a sequence-independent molecular-replacement pipeline

scientific article published on 08 June 2018

The <i>CCP</i>4 suite: integrative software for macromolecular crystallography

scientific article published in 2023

The GAMESS-UK electronic structure package: algorithms, developments and applications

article

The Quixote project: Collaborative and Open Quantum Chemistry data management in the Internet age

scientific article (publication date: 14 October 2011)

The semantics of Chemical Markup Language (CML): dictionaries and conventions

scientific article (publication date: 14 October 2011)

Using Phaser and ensembles to improve the performance of SIMBAD

scientific article published on 01 January 2020

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