Medicinal Chemistry search menu search content In silico drug design What is in silico drug design? In silico drug design is a term that means ‘computer-aided molecular design’, or in other words the rational design or discovery of drugs using a wide variety of computational methods. Especially …

Info for companies search menu search content New in vitro and in silico assays that predict T cell responses in vaccines ImmuneWatch, Quantoom Biosciences (Univercells) and UAntwerp join forces to explore new in vitro and in silico assays that predict T cell responses in vaccines Brussels - March 3…

Laboratory of Experimental Hematology search menu search content LEH - ImmuneWatch - Quantoom Biosciences Public-private partnership ImmuneWatch, Quantoom Biosciences (Univercells) and LEH (UAntwerp) join forces to explore new in vitro and in silico assays that predict T cell responses in vaccines B…

Nicky de Vrij predoc researcher FWO Research Nicky de Vrij Research team ADReM Data Lab (ADReM) A framework to deduce the convoluted repertoire and epitope hierarchy of human T cell responses in visceral leishmaniasis: patient meets in silico. 01/11/2020 - 31/10/2025 Abstract Visceral leishmaniasis …

Toxicological Centre search menu search content In vitro metabolism & metabolomics Studying human metabolism using in silico and in vitro techniques What? Prediction and elucidation of Phase I & II metabolites & metabolic pathways Characterization of alterations in cellular metabolites How? Elucidat…

INSPIRE safety pharmacology search menu search content Work Packages WP1 Enabling technology for safety pharmacology Objectives: Work Package (WP) 1 aims to explore and develop novel technologies that enable more accurate detection of drug-induced CV liabilities. Specifically, WP1 will focus on the …

Intelligence in Processes, Advanced Catalysts and Solvents search menu search content iPRACS Intelligence in Processes, Advanced Catalysts and Solvents iPRACS aspires to change the way innovations in circular and sustainable processes are done, by integrating early stage (ex-ante) sustainability ass…

Medicinal Chemistry search menu search content Research topics Inflammation Cell death/survival In silico drug design Exploratory protease targets Infectious diseases Technology development Cookie prreferences Strictly necessary cookies They are necessary for the proper functioning of the website an…

ECOSPHERE search menu search content Bioavailability and accumulation of micro-and macro-contaminants We study the relative importance of different exposure routes and the effects of environmental conditions on the bioavailability, accumulation, and toxicity of trace metals and other priority and ne…

INSPIRE safety pharmacology search menu search content Webinar Series 2022 INRIA 14 JUNE | 12:00 PM CET (06:00 AM ET): Why talking to a mathematician? What do we mean by 'data analysis'; mathematical modelling; and examples of application. Lecturers: Damiano Lombardy, Research Scientist | Miguel A. …

Condensed Matter Theory search menu search content Research Our research focuses on nano and mesoscopic physics, with a key goal to characterize materials on all scales between the atomistic and the macroscopic one, and enable their novel functionalities. The electrical, vibrational, magnetic, optic…

Sustainable chemistry search menu search content Advanced Sustainable Products - Technology Environmental and human risk in Advanced Sustainable Products A lot of effort is being put in replacing existing compounds, formulation and products by more sustainable yet equivalent replacements. Neverthele…

Intelligence in Processes, Advanced Catalysts and Solvents search menu search content About us About iPRACS - Intelligence in Processes, Advanced Catalysts and Solvents Mission iPRACS aspires to change the way innovations in circular and sustainable processes are done, by integrating early stage (ex…

Integrated Sustainable Chemistry - InSusChem search menu search content Intelligence in Processes, Advanced Catalysts and Solvents - iPRACS Intelligence in Processes, Advanced Catalysts and Solvents - iPRACS iPRACS aspires to change the way innovations in circular and sustainable processes are done,…

Condensed Matter Theory search menu search content Research mission The focus of the group is on a fundamental understanding of the electronic, vibrational, optical, magnetic, and superconducting properties of 2D and bulk materials, as well as on the multiscale description of nano- and atomically-en…

Sustainable chemistry search menu search content Sidestream Valorisation - Technology Human and environmental risk in Sidestream Valorisation We cannot afford any longer to look upon waste as simply waste. We need and are valorizing process side and waste streams to a larger and larger extend. This …

Sustainable water management search menu search content Research Topics Research topics We are supported by a broad array of top notch technology platforms available in the involved research groups. The technology allows high level organic and elemental analysis complemented by an array of (eco)toxi…

Sustainable chemistry search menu search content Human and Environmental Risk - Technology Human and Environmental Risk - Technology Sustainable chemistry is supported by a broad array of top notch technology platforms available in the involved research groups. The technology allows high level organ…

Sustainable chemistry search menu search content Sustainable Chemistry Process Intensification Technology Environmental and human risk in Process Intensification New more efficient and more sustainable processes are being developed, both for new and existing products. If we want to be truly sustaina…

INSPIRE safety pharmacology search menu search content ESR8 Sara Costa Faya An in silico approach to monitor and predict haemodynamics during safety pharmacology studies Host organisation: INRIA, France Supervisors: Dr. Miguel Fernández, Dr. Damiano Lombardi, and Dr. Céline Grandmont LEARN MORE AB…

INSPIRE safety pharmacology search menu search content Numerical simulation 02/06/2021 - Sara (ESR #8) In the poster, you see pressure signals obtained from in silico modelling in different conditions, i.e. in a compliant (healthy) and stiff (aged) blood vessel. The picture shows P0 (blue), which is…

Condensed Matter Theory search menu search content Possible topics for a Master thesis (list far from exhaustive) Advancing interatomic potentials for molecular dynamics simulations of 2D materials DFT-minus-half method for qubits in broadband semiconductors DNA translocation through a 2D nanopore E…

Maryam Ghasemitarei unpaid staff Publications Maryam Ghasemitarei In silico study of the impact of oxidation on pyruvate transmission across the hVDAC1 protein channel Source Archives of biochemistry and biophysics - ISSN 0003-9861-751 (2024) p. 1-7 Author(s) Mahsa Rezaei, Maryam Ghasemitarei, Jamol…

Sustainable chemistry search menu search content Technology for renewable chemicals - Sustainable chemistry Technology for renewable chemicals Synthesis Chemicals from lignin and wood text Electrochemical organic synthesis Text Oleochemicals Text Biobased surfactants and monomers by fermentation Tex…

Maksudbek Yusupov unpaid staff Publications Maksudbek Yusupov Unveiling the interaction mechanisms of cold atmospheric plasma and amino acids by machine learning Source Plasma processes and polymers - ISSN 1612-8850- (2024) p. 1-26 Author(s) Zhao-Nan Chai, Xu-Cheng Wang, Maksudbek Yusupov, Yuan-Tao …