BioSim Research Group

BioSim Research Group Computational Enzymatic Catalysis, Docking and Virtual Screening

Many congratulations to Andreia D. Veloso for successfully defending her PhD thesis in Chemical and Biological Sciences ...
26/11/2024

Many congratulations to Andreia D. Veloso for successfully defending her PhD thesis in Chemical and Biological Sciences (UTAD) with the title “Development of hydrophilic carbon nanomaterials with biomimetic properties of antioxidant enzymes” (22th November, Vila Real). Andreia’s PhD thesis was developed under the supervision of Prof. Maria C.Oliveira (UTAD/CQ-VR), and the co-supervision of Romeu A. Videira (FCUP/LAQV) and Nuno Cerqueira (BioSIM-FMUP), with the computational studies developed at BioSIM....

Many congratulations to Andreia D. Veloso for successfully defending her PhD thesis in Chemical and Biological Sciences (UTAD) with the title “Development of hydrophilic carbon nanomaterials with biomimetic properties of antioxidant enzymes” ...

BioSIM welcomes professor María Aznar Palenzuela, from the Universidad de Cabo Verde, for a mobility period at BioSIM, w...
25/11/2024

BioSIM welcomes professor María Aznar Palenzuela, from the Universidad de Cabo Verde, for a mobility period at BioSIM, within the scope of the ERASMUS+ program. Prof. María Aznar Palenzuela research interests lie at the interface of physics and biology, focusing in particular on the physical properties of viruses, specifically the mechanical aspects and assembly of viral capsids. She developed a virus model and implemented it in C++ software, utilizing two simulation techniques: Monte Carlo (MC) simulations for studying optimal structures and stability of viral shells, and Brownian Dynamics (BD) simulations for analyzing assembly dynamics and mechanical responses....

BioSIM welcomes professor María Aznar Palenzuela, from the Universidad de Cabo Verde, for a mobility period at BioSIM, within the scope of the ERASMUS+ program. Prof. María Aznar Palenzuela research ...

Two PhD students from BioSIM had the opportunity to present their research at the III Science Congress of the Faculty of...
22/11/2024

Two PhD students from BioSIM had the opportunity to present their research at the III Science Congress of the Faculty of Sciences, University of Porto, held from October 29 to 31, 2024. João Pedro Boazinha presented his work titled "Creation of a 3D Molecular Database of Voltage-Gated Sodium Channels." His research focuses on computational modeling to develop a deeper understanding of sodium channels, which play a vital role in molecular biology and pharmacology....

Two PhD students from BioSIM had the opportunity to present their research at the III Science Congress of the Faculty of Sciences, University of Porto, held from October 29 to 31, ...

Happy to share that a project with the participation of BioSIM was selected for funding through the CaixaResearch Health...
19/11/2024

Happy to share that a project with the participation of BioSIM was selected for funding through the CaixaResearch Health Call 2024. This project was one of the 29 research projects selected for funding (out of the 580 applications, success rate of 5.0%) and is among the 9 Portuguese projects chosen. This project, entitled “New molecules harnessing targeted protein degradation for the treatment of Machado-Joseph disease…...

Happy to share that a project with the participation of BioSIM was selected for funding through the CaixaResearch Health Call 2024. This project was one of the 29 research projects selected ...

Sérgio F. Sousa presented a lecture in the recent course of the PhD Program in Integrated Health (One Health) of UTAD th...
18/11/2024

Sérgio F. Sousa presented a lecture in the recent course of the PhD Program in Integrated Health (One Health) of UTAD that took place at the Faculty of Medicine of the University of Porto in November 15th. The 1-hour lecture presented was entitled "Towards One Health: Combining Biomolecular Simulations, Artificial Intelligence and Scientific Databases" and provided an overview of the field of biomolecular simulations and of the impact of HPC resources, artificial intelligence and scientific databases in science and of the potential that arises from the combination of these tools within the One Health concept....

Sérgio F. Sousa presented a lecture in the recent course of the PhD Program in Integrated Health (One Health) of UTAD that took place at the Faculty of Medicine of ...

Fábio Martins, a PhD student at BioSIM, recently participated in the XXVIII Encontro Galego-Português de Química, held f...
15/11/2024

Fábio Martins, a PhD student at BioSIM, recently participated in the XXVIII Encontro Galego-Português de Química, held from November 13th to 15th, 2024, at the Sede Afundación in Vigo, Spain. This conference serves as a prominent platform for fostering collaboration and knowledge exchange between researchers from Galicia and Portugal, highlighting advancements across various fields of chemistry. During the event, Fábio delivered an oral presentation titled “...

Fábio Martins, a PhD student at BioSIM, recently participated in the XXVIII Encontro Galego-Português de Química, held from November 13th to 15th, 2024, at the Sede Afundación in Vigo, Spain. ...

Congratulations to Rafael Vieira for successfully defending his MSc thesis in Bioinformatics and Computational Biology t...
14/11/2024

Congratulations to Rafael Vieira for successfully defending his MSc thesis in Bioinformatics and Computational Biology titled “Designing in-silico aptamers for potential marine bioremediation” (Novemeber 8th 2024). Rafael’s thesis was developed under the supervision of Dr. Sérgio F. Sousa (BioSIM), Dr. João Carneiro (CIIMAR) and Dr. Diogo Pratas (DETI/IEETA). The research developed over the course of this thesis brought new understanding of the positive impact of three-dimensional features in modeling aptamer-target interactions, and better understanding of the scope of the data sharing issue that affects the field....

Congratulations to Rafael Vieira for successfully defending his MSc thesis in Bioinformatics and Computational Biology titled “Designing in-silico aptamers for potential marine bioremediation” (Novemeber 8th 2024). Rafael’s thesis was developed under the ...

BioSIM welcomes a new Bachelor’s student, Ana Chilro from School of Health – Polytechnic Institute of Porto. Ana is curr...
07/11/2024

BioSIM welcomes a new Bachelor’s student, Ana Chilro from School of Health – Polytechnic Institute of Porto. Ana is currently completing the BSc in Medical Biotechnology and will develop her internship project at BioSIM, investigating the potential therapeutic effects of specific compounds in cannabis oil for modulating acute inflammatory responses, working under the supervision of Sérgio Sousa (FMUP/BioSIM) and Airam Roggero (FMUP/BioSIM).

BioSIM welcomes a new Bachelor’s student, Ana Chilro from School of Health – Polytechnic Institute of Porto. Ana is currently completing the BSc in Medical Biotechnology and will develop her ...

Sérgio F. Sousa, Tatiana Vieira and Fábio Martins present their work at the 13th Iberian Grid Conference - IBERGRID 2024...
06/11/2024

Sérgio F. Sousa, Tatiana Vieira and Fábio Martins present their work at the 13th Iberian Grid Conference - IBERGRID 2024. This event held from October 28-30, 2024, at the Faculty of Medicine of the University of Porto, brought together researchers and professionals from Portugal and Spain to explore innovations in distributed computing, digital twins, and open science. The event kicked off with a focus on Digital Twins applied to geophysical extremes, showcasing the DT-GEO project's role in forecasting natural disasters....

Sérgio F. Sousa, Tatiana Vieira and Fábio Martins present their work at the 13th Iberian Grid Conference – IBERGRID 2024. This event held from October 28-30, 2024, at the Faculty ...

BioSIM welcomes a new M. Sc. student, Tatiana Melo from M.Sc. in Chemical Engineering at the Faculty of Engineering of t...
06/11/2024

BioSIM welcomes a new M. Sc. student, Tatiana Melo from M.Sc. in Chemical Engineering at the Faculty of Engineering of the University of Porto (FEUP). Tatiana holds a B.Sc. degree in Biochemistry from the Faculty of Sciences of the University of Porto (FCUP) and is currently engaged in a research project entitled “SeaProPep - SEAweed as a sustainable source of PROtein and bioactive PEPtides.” Her project will be developed at FEUP and BioSIM, under the supervision of Dr. Tânia Tavares (FEUP/LEPABE) and Dr. Sérgio F. Sousa (FMUP/BioSIM).

https://biosim.pt/2024/11/06/biosim-welcomes-a-new-msc-student-tatiana-melo/

BioSIM welcomes a new M. Sc. student, Tatiana Melo from M.Sc. in Chemical Engineering at the Faculty of Engineering of the University of Porto (FEUP). Tatiana holds a B.Sc. degree ...

BioSIM welcomes a new MSc student, Isidro Ferreira, from the MSc in Chemistry (FCUP).His project focuses on the applicat...
05/11/2024

BioSIM welcomes a new MSc student, Isidro Ferreira, from the MSc in Chemistry (FCUP).His project focuses on the application of computational approaches to understand different molecular effects of mutations associated to the PMM2 enzyme. This project will be developed under the supervision of Professor André Melo (LAQV/ REQUIMTE-FCUP) and Sérgio F. Sousa (BioSIM).

BioSIM welcomes a new MSc student, Isidro Ferreira, from the MSc in Chemistry (FCUP).His project focuses on the application of computational approaches to understand different molecular effects of mutations associated ...

BioSIM welcomes a new MSc student, Ana Lima, from the MSc in Biostatistics and Bioinformatics Applied to Health, at the ...
04/11/2024

BioSIM welcomes a new MSc student, Ana Lima, from the MSc in Biostatistics and Bioinformatics Applied to Health, at the School of Health Sciences – Polytechnic of Porto (ESS | IPP). Her project, titled “Leveraging Genomic Databases for Enhanced Identification and Therapeutic Strategies against Highly Infectious Viruses: A Comparative Study of HIV, Ebola, and SARS-CoV-2”, delves into how genomic and proteomic databases can improve identification methods and lead to the discovery of new therapeutic targets for highly infectious viruses. The project will be supervised by Dr. João Carneiro (CIIMAR), with the co-supervision of Dr. Sérgio Sousa (BioSIM) and Dr. Vítor Sá (ESS | IPP).

BioSIM welcomes a new MSc student, Ana Lima, from the MSc in Biostatistics and Bioinformatics Applied to Health, at the School of Health Sciences – Polytechnic of Porto (ESS | ...

Endereço

Alameda Professor Hernani Monteiro
Porto
4200-319 PORTO

Website

Notificações

Seja o primeiro a receber as novidades e deixe-nos enviar-lhe um email quando BioSim Research Group publica notícias e promoções. O seu endereço de email não será utilizado para qualquer outro propósito, e pode cancelar a subscrição a qualquer momento.

Entre Em Contato Com A Prática

Envie uma mensagem para BioSim Research Group:

Atalhos

Compartilhar

Share on Facebook Share on Twitter Share on LinkedIn
Share on Pinterest Share on Reddit Share via Email
Share on WhatsApp Share on Instagram Share on Telegram

Categoria

BioSIM - Biomolecular SIMulations

Theoretical and Computational Chemistry is an exciting, contemporary and broad field. Rooted in chemistry, it straddles the vibrant interfaces between chemistry, physics and biology, and encompasses any application of mathematical and computational techniques to problems and systems of chemical, biological and related interests.

Over the past decade, computational and theoretical chemistry has undergone a revolution triggered by the advent of inexpensive, high-speed desktop computers that can be linked together into powerful parallel clusters. At the same time, computational chemists have also made substantial advances in algorithms and numerical methods that can harness the power of these clusters to simulate molecular behavior and chemical processes.

Our research team bridges the gap between theory and experiment applying and developing state-of-the-art computational tools focusing on Enzymatic Catalysis and Drug Discovery. For that we combine QM/MM Methods, Quantum Mechanics, Molecular Dynamics, Docking, Virtual Screening, and Free Energy Perturbation methods, always in close linking with experiment. In addition several software applications have also been developed and made available to the scientific community.