Publications related to Integrating computational methods to retrofit enzymes to synthetic pathways

Live-cell imaging powered by computation

The proliferation of microscopy methods for live-cell imaging offers many new possibilities for users but can also be challenging to navigate. The prevailing challenge in live-cell fluorescence microscopy is capturing intra-cellular dynamics while preservi ...

Berlin2024

From Automated Bootstrapping to Collaborative Editing: A Framework for 4D City Reconstruction

Rémi Guillaume Petitpierre, Paul Robert Guhennec, Beatrice Vaienti, Didier Louis Dupertuis

We propose a framework for the construction of 4D scientific models for cities of the past. It leverages both the use of computational methods for bootstrapping, and a collaborative interface for visualisation and edition. This permits to continuously enri ...

Zenodo2023

3DHumanGAN: 3D-Aware Human Image Generation with 3D Pose Mapping

Zhuoqian Yang, Siyuan Li

We present 3DHumanGAN, a 3D-aware generative adversarial network that synthesizes photo-like images of fullbody humans with consistent appearances under different view-angles and body-poses. To tackle the representational and computational challenges in sy ...

Ieee Computer Soc2023

Fast in vivo assay of creatine kinase activity in the human brain by P-31 magnetic resonance fingerprinting

Lijing Xin, Daniel Wenz, Mark Stephan Widmaier, Songi Lim

A new and efficient magnetisation transfer P-31 magnetic resonance fingerprinting (MT-P-31-MRF) approach is introduced to measure the creatine kinase metabolic rate kCK

{k}_{\mathrm{CK}}

between phosphocreatine (PCr) and adenosine triphosphate (ATP) i ...

WILEY2023

Computational tools and resources for designing new pathways to small molecules

Vassily Hatzimanikatis, Anastasia Sveshnikova

The metabolic engineering community relies on computational methods for pathway design to produce important small molecules in microbial hosts. Metabolic network databases are continuously curated and updated with known and novel reactions that expand the ...

CURRENT BIOLOGY LTD2022

Spatio-Temporal Estimation of Renewable Energy Potential in Built Environments using Big Data

Alina Ursula Rosa Walch

To achieve the goals of the Paris Agreement on climate change, governments around the world must shift to renewable energy (RE) to drastically reduce their CO2 emissions within the next 10-30 years. The development of effective strategies for RE integratio ...

EPFL2022

A Champion for Chemistry: Elements of Jim Morgan's Intellectual Legacy

Janet Gordon Hering

James (Jim) Morgan was a leading figure in the field of environmental science and engineering. He championed the application of chemistry in the study of the environment and the design and optimization of environmental treatment processes. Jim influenced t ...

AMER CHEMICAL SOC2021

Spearheading future omics analyses using dyngen, a multi-modal simulator of single cells

Wouter Saelens

We present dyngen, a multi-modal simulation engine for studying dynamic cellular processes at single-cell resolution. dyngen is more flexible than current single-cell simulation engines, and allows better method development and benchmarking, thereby stimul ...

NATURE RESEARCH2021

Modern quantum chemistry with [Open]Molcas

Francesco Aquilante

MOLCAS/OpenMolcas is an ab initio electronic structure program providing a large set of computational methods from Hartree-Fock and density functional theory to various implementations of multiconfigurational theory. This article provides a comprehensive o ...

AMER INST PHYSICS2020

First-principles calculations of charge carrier mobility and conductivity in bulk semiconductors and two-dimensional materials

Samuel Poncé, Feliciano Giustino

One of the fundamental properties of semiconductors is their ability to support highly tunable electric currents in the presence of electric fields or carrier concentration gradients. These properties are described by transport coefficients such as electro ...

IOP PUBLISHING LTD2020

Integrating computational methods to retrofit enzymes to synthetic pathways

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Live-cell imaging powered by computation

From Automated Bootstrapping to Collaborative Editing: A Framework for 4D City Reconstruction

3DHumanGAN: 3D-Aware Human Image Generation with 3D Pose Mapping

Fast in vivo assay of creatine kinase activity in the human brain by P-31 magnetic resonance fingerprinting

Computational tools and resources for designing new pathways to small molecules

Spatio-Temporal Estimation of Renewable Energy Potential in Built Environments using Big Data

A Champion for Chemistry: Elements of Jim Morgan's Intellectual Legacy

Spearheading future omics analyses using dyngen, a multi-modal simulator of single cells

Modern quantum chemistry with [Open]Molcas

First-principles calculations of charge carrier mobility and conductivity in bulk semiconductors and two-dimensional materials

Live-cell imaging powered by computation

Computational tools and resources for designing new pathways to small molecules

Fast in vivo assay of creatine kinase activity in the human brain by P-31 magnetic resonance fingerprinting

3DHumanGAN: 3D-Aware Human Image Generation with 3D Pose Mapping

From Automated Bootstrapping to Collaborative Editing: A Framework for 4D City Reconstruction

Spearheading future omics analyses using dyngen, a multi-modal simulator of single cells

First-principles calculations of charge carrier mobility and conductivity in bulk semiconductors and two-dimensional materials

A Champion for Chemistry: Elements of Jim Morgan's Intellectual Legacy

Spatio-Temporal Estimation of Renewable Energy Potential in Built Environments using Big Data

Modern quantum chemistry with [Open]Molcas