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Integrative, dynamic structural biology at atomic resolution--it's about time

Nature methods, 2015-04, Vol.12 (4), p.307-318

2015

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Systematic Functional Prioritization of Protein Posttranslational Modifications

Cell, 2012-07, Vol.150 (2), p.413-425

2012

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Molecular evidence of widespread benzimidazole drug resistance in Ancylostoma caninum from domestic dogs throughout the USA and discovery of a novel β-tubulin benzimidazole resistance mutation

PLoS pathogens, 2023-03, Vol.19 (3), p.e1011146-e1011146

2023

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EMRinger: side chain-directed model and map validation for 3D cryo-electron microscopy

Nature methods, 2015-10, Vol.12 (10), p.943-946

2015

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Accessing protein conformational ensembles using room-temperature X-ray crystallography

Proceedings of the National Academy of Sciences - PNAS, 2011-09, Vol.108 (39), p.16247-16252

2011

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Discovery and Characterization of Gut Microbiota Decarboxylases that Can Produce the Neurotransmitter Tryptamine

Cell host & microbe, 2014-10, Vol.16 (4), p.495-503

2014

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Bacteriophages inhibit and evade cGAS-like immune function in bacteria

Cell, 2023-02, Vol.186 (4), p.864-876.e21

2023

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Automated structure refinement of macromolecular assemblies from cryo-EM maps using Rosetta

eLife, 2016-09, Vol.5

2016

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CryptoSite: Expanding the Druggable Proteome by Characterization and Prediction of Cryptic Binding Sites

Journal of molecular biology, 2016-02, Vol.428 (4), p.709-719

2016

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Ensemble-based enzyme design can recapitulate the effects of laboratory directed evolution in silico

Nature communications, 2020-09, Vol.11 (1), p.4808-4808, Article 4808

2020

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Integrated description of protein dynamics from room-temperature X-ray crystallography and NMR

Proceedings of the National Academy of Sciences - PNAS, 2014-01, Vol.111 (4), p.E445-E454

2014

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A Multi-model Approach to Assessing Local and Global Cryo-EM Map Quality

Structure (London), 2019-02, Vol.27 (2), p.344-358.e3

2019

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Rescue of conformational dynamics in enzyme catalysis by directed evolution

Nature communications, 2018-04, Vol.9 (1), p.1314-11, Article 1314

2018

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Crystal Cryocooling Distorts Conformational Heterogeneity in a Model Michaelis Complex of DHFR

Structure (London), 2014-06, Vol.22 (6), p.899-910

2014

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Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery

Nature chemistry, 2014-07, Vol.6 (7), p.575-583

2014

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Expanding the space of protein geometries by computational design of de novo fold families

Science (American Association for the Advancement of Science), 2020-08, Vol.369 (6507), p.1132-1136

2020

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DIMPLE: deep insertion, deletion, and missense mutation libraries for exploring protein variation in evolution, disease, and biology

Genome Biology, 2023-02, Vol.24 (1), p.36-36, Article 36

2023

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An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering

eLife, 2018-06, Vol.7

2018

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Automated identification of functional dynamic contact networks from X-ray crystallography

Nature methods, 2013-09, Vol.10 (9), p.896-902

2013

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One Crystal, Two Temperatures: Cryocooling Penalties Alter Ligand Binding to Transient Protein Sites

Chembiochem : a European journal of chemical biology, 2015-07, Vol.16 (11), p.1560-1564

2015

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Temperature-jump solution X-ray scattering reveals distinct motions in a dynamic enzyme

Nature chemistry, 2019-11, Vol.11 (11), p.1058-1066

2019

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Exposing Hidden Alternative Backbone Conformations in X-ray Crystallography Using qFit

PLoS computational biology, 2015-10, Vol.11 (10), p.e1004507-e1004507

2015

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Protein structural ensembles are revealed by redefining X-ray electron density noise

Proceedings of the National Academy of Sciences - PNAS, 2014-01, Vol.111 (1), p.237-242

2014

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Ligand binding remodels protein side-chain conformational heterogeneity

eLife, 2022-03, Vol.11

2022

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High-resolution structures of the M2 channel from influenza A virus reveal dynamic pathways for proton stabilization and transduction

Proceedings of the National Academy of Sciences - PNAS, 2015-11, Vol.112 (46), p.14260-14265

2015

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Integrative, dynamic structural biology at atomic resolution--it's about time

Systematic Functional Prioritization of Protein Posttranslational Modifications

Molecular evidence of widespread benzimidazole drug resistance in Ancylostoma caninum from domestic dogs throughout the USA and discovery of a novel β-tubulin benzimidazole resistance mutation

EMRinger: side chain-directed model and map validation for 3D cryo-electron microscopy

Accessing protein conformational ensembles using room-temperature X-ray crystallography

Discovery and Characterization of Gut Microbiota Decarboxylases that Can Produce the Neurotransmitter Tryptamine

Bacteriophages inhibit and evade cGAS-like immune function in bacteria

Automated structure refinement of macromolecular assemblies from cryo-EM maps using Rosetta

CryptoSite: Expanding the Druggable Proteome by Characterization and Prediction of Cryptic Binding Sites

Ensemble-based enzyme design can recapitulate the effects of laboratory directed evolution in silico

Integrated description of protein dynamics from room-temperature X-ray crystallography and NMR

A Multi-model Approach to Assessing Local and Global Cryo-EM Map Quality

Rescue of conformational dynamics in enzyme catalysis by directed evolution

Crystal Cryocooling Distorts Conformational Heterogeneity in a Model Michaelis Complex of DHFR

Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery

Expanding the space of protein geometries by computational design of de novo fold families

DIMPLE: deep insertion, deletion, and missense mutation libraries for exploring protein variation in evolution, disease, and biology

An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering

Automated identification of functional dynamic contact networks from X-ray crystallography

One Crystal, Two Temperatures: Cryocooling Penalties Alter Ligand Binding to Transient Protein Sites

Temperature-jump solution X-ray scattering reveals distinct motions in a dynamic enzyme

Exposing Hidden Alternative Backbone Conformations in X-ray Crystallography Using qFit

Protein structural ensembles are revealed by redefining X-ray electron density noise

Ligand binding remodels protein side-chain conformational heterogeneity

High-resolution structures of the M2 channel from influenza A virus reveal dynamic pathways for proton stabilization and transduction

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