High resolution CryoEM structure of the ring-shaped virulence factor EspB from Mycobacterium tuberculosis

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The true understanding of most cellular functions is only really achievable through the structural determination of their underlying macromolecular assemblies. However, their size, large number of individual components and metastable states make their eluc ...

We present CryoGAN, a new paradigm for single-particle cryo-electron microscopy (cryo-EM) reconstruction based on unsupervised deep adversarial learning. In single-particle cryo-EM, the structure of a biomolecule needs to be reconstructed from a large set ...

Mycobacterium tuberculosis is a slow-growing intracellular bacterium with the ability to induce host cell death and persist indefinitely in the human body. This pathogen uses the specialized ESX-1 secretion system to secrete virulence factors and potent im ...

A series of derivatives of the antimycobacterial natural product pyridomycin have been prepared with the C2 side chain attached to the macrocyclic core structure by a C-C single bond, in place of the synthetically more demanding enol ester double bond foun ...

Lipid membranes are complex and dynamic systems which are known to mediate signaling processes between cells and their environment. To do this multiple ion channels and pumps are involved in controlling the in- and out-flux of various ions (K+, Na+, Mg2+, ...

The topic of this thesis is the development of new reconstruction methods for cryo-electron microscopy (cryo-EM). Cryo-EM has revolutionized the field of structural biology over the last decade and now permits the regular discovery of biostructures. Yet, t ...

Correlating the catalyst activity, selectivity, and stability with its structure and composition is of the utmost importance in advancing the knowledge of heterogeneous electrocatalytic processes for chemical energy conversion. Well-defined colloidal nanoc ...

Continuous assessment of transferable forcefields for molecular simulations is essential to identify their weaknesses and direct improvement efforts. The latest efforts focused on better describing disordered proteins while retaining proper description of ...

Mycobacterium tuberculosis, the etiologic agent of human tuberculosis, is the world's leading cause of death from an infectious disease. One of the main features of this pathogen is the complex and dynamic lipid composition of the cell envelope, which adap ...

BackgroundStatistical potentials, also named knowledge-based potentials, are scoring functions derived from empirical data that can be used to evaluate the quality of protein folds and protein-protein interaction (PPI) structures. In previous works we deco ...

We propose a deep-learning-based reconstruction method for cryo-electron microscopy (Cryo-EM) that can model multiple conformations of a nonrigid biomolecule in a standalone manner. Cryo-EM produces many noisy projections from separate instances of the sam ...

Mycobacterium tuberculosis, the etiological agent for the tuberculosis disease, is a bacterial pathogen thought to infect about a quarter of the global human population. It is the first cause of death among infectious diseases, and is most prevalent in low ...

The work presented in this thesis combines supervised and unsupervised machine learning to examine structure-property relationships in databases of materials. While either supervised learning or unsupervised learning alone can be a powerful tool for assess ...

High resolution CryoEM structure of the ring-shaped virulence factor EspB from Mycobacterium tuberculosis

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New Methods for the Integrative Dynamic Modeling of Biomolecular Structures

CryoGAN: A New Reconstruction Paradigm for Single-Particle Cryo-EM Via Deep Adversarial Learning

Polarly Localized EccE(1) Is Required for ESX-1 Function and Stabilization of ESX-1 Membrane Proteins in Mycobacterium tuberculosis

Synthesis and Structure-Activity Relationship Studies of C2-Modified Analogs of the Antimycobacterial Natural Product Pyridomycin

Passive and active ion permeation through lipid bilayers investigated by second harmonic water imaging

Reconstruction Methods for Cryo-Electron Microscopy: From Model-based to Data-driven

Colloidal Nanocrystals as Electrocatalysts with Tunable Activity and Selectivity

Assessment of transferable forcefields for protein simulations attests improved description of disordered states and secondary structure propensities, and hints at multi-protein systems as the next challenge for optimization

FasR Regulates Fatty Acid Biosynthesis and Is Essential for Virulence of Mycobacterium tuberculosis

SPServer: split-statistical potentials for the analysis of protein structures and protein-protein interactions

Multi-CryoGAN: Reconstruction of Continuous Conformations in Cryo-EM Using Generative Adversarial Networks

Time-lapse high-resolution microscopy to study the morphogenesis of microorganisms

Structure-Property Relationships in Complex Materials by Combining Supervised and Unsupervised Machine Learning