Nuno Oliveira - Computational Biochemist

Q: Where is Nuno based?

Nuno is based in Lisbon, Portugal and prefers 100% remote projects.

Q: What languages does Nuno speak?

Nuno speaks the following languages: Portuguese (Native), English (Advanced) .

Q: How many years of experience does Nuno have?

Nuno has at least 5 years of experience. During this time, Nuno has worked in at least 1 role and for 9 different companies . The average length of individual experience is 5 months . Note that Nuno may not have shared all experience and actually has more experience.

Q: What is Nuno's latest experience?

Nuno's most recent position is Author at Journal of Chemical Information and Modeling .

Q: What companies has Nuno worked for in recent years?

In recent years, Nuno has worked for Journal of Chemical Information and Modeling , Journal of Chemical Theory and Computation , Biophys. J. , Pharmacol. Res. , and Journal of Medicinal Chemistry .

Q: Which industries is Nuno most experienced in?

Nuno is most experienced in industries like Biotechnology , Chemical , and Pharmaceutical .

Q: Which business areas is Nuno most experienced in?

Nuno is most experienced in business areas like Research and Development (R&D) .

Q: What is Nuno's education?

Nuno holds a Doctorate in Biochemistry from University of Lisbon , a Master in Biochemistry from University of Lisbon and a Bachelor in Biochemistry from University of Lisbon .

Q: What is the availability of Nuno?

Nuno will be available part-time from January 2026 .

Recommended expert

Lisbon, Portugal

Experience

Jan 2025 - Dec 2025

1 year

Author

Journal of Chemical Information and Modeling

CpHMD Container - a stochastic constant-pH Molecular dynamics container available to all. (Manuscript in preparation)

Jan 2025 - Dec 2025

1 year

Author

Journal of Chemical Information and Modeling

Improving the Estimation of pKa Values for All Titrable Amino Acids at the Water/Membrane Interface (In Review process)

Jan 2025 - Dec 2025

1 year

Author

Journal of Chemical Theory and Computation

Toward Accurate pH-Dependent Binding Constant Predictions Using Molecular Docking and Constant-pH MD Calculations.

Jan 2024 - Dec 2024

1 year

Author

Biophys. J.

Constant-pH MD Simulations of the Protonation-Triggered Conformational Switching in Diphtheria Toxin Translocation Domain

Jan 2024 - Dec 2024

1 year

Author

Pharmacol. Res.

A novel combinatory treatment against a CDDP-resistant non-small cell lung cancer based on a Ruthenium(II) cyclopentadienyl compound

Jan 2023 - Dec 2023

1 year

Author

Journal of Chemical Information and Modeling

Interfacial Dynamics and Growth Modes of B2-Microglobulin Dimers

Jan 2023 - Dec 2023

1 year

Author

Journal of Medicinal Chemistry

Fighting Multidrug Resistance with Ruthenium-Cyclopentadienyl Compounds: Unveiling the Mechanism of P-gp Inhibition

Jan 2023 - Dec 2023

1 year

Author

Toxins

Histidine Protonation and Conformational Switching in Diphtheria Toxin Translocation Domain

Jan 2022 - Dec 2022

1 year

Author

J. Chem. Inf. Model.

MembIT - a tool to calculate solute membrane insertions and deformations in molecular dynamics simulations

Jan 2022 - Dec 2022

1 year

Author

Journal of Chemical Information and Modeling

Novel US-CpHMD Protocol to Study the Protonation-Dependent Mechanism of the ATP/ADP Carrier

Jan 2021 - Dec 2021

1 year

Author

Computational and Structural Biotechnology Journal

Predicting stable binding modes from simulated dimers of the D76N mutant of B2-microglobulin

Jan 2021 - Dec 2021

1 year

Author

Springer US

pKa Calculations in Membrane Proteins in Methods in Molecular Biology: Computational Design of Membrane Proteins, Volume 2315, Editors: Irina Moreira, Joana Mourão, Miguel Machuqueiro. In Press.

Jan 2020 - Dec 2020

1 year

Author

Journal of Chemical Theory and Computation

Improved GROMOS 54A7 Charge Sets for Phosphorylated Tyr, Ser, and Thr to Deal with pH-Dependent Binding Phenomena

Summary

Computational biochemist currently integrated in the Machuqueiro Computational Biophysics Lab, specializing in constant-pH MD, enhanced sampling methods, membrane biophysics, and Al-driven peptide/drug design.

Experienced in computational technique application to health related problems, force field development, and inter-disciplinary collaboration across computational and wet-lab groups.

Skills

Programming & Tools

Python, Bash, Awk, Sed
Docker & Singularity Containerization
Git, Linux/unix Environments
Ai/ml Model Integration For Drug/peptide Design

Modeling & Simulation Tools

Md, Enhanced Sampling (Us, Reus), Stochastic Cphmd
Gromacs, Amber, Charmm, Gromos Force-fields
Docking (Autodock, Haddock)
Continuum Electrostatics, Membrane Systems Modelling

Domain Expertise

Ph-dependent Protein/drug Behavior
Biological Membrane Biophysics
Peptide Binder Design
Protein Conformational Dynamics

Languages

Portuguese

Native

English

Advanced

Education

Oct 2021 - Jun 2026

University of Lisbon

Ph.D. in Biochemistry · Biochemistry · Lisbon, Portugal

Oct 2018 - Jun 2021

University of Lisbon

MSc in Biochemistry · Biochemistry · Lisbon, Portugal

Oct 2014 - Jun 2018

University of Lisbon

BSc in Biochemistry · Biochemistry · Lisbon, Portugal

Profile

Created

December 2025

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Frequently asked questions

Do you have questions? Here you can find further information.

Where is Nuno based?

Nuno is based in Lisbon, Portugal and prefers 100% remote projects.

What languages does Nuno speak?

Nuno speaks the following languages: Portuguese (Native), English (Advanced).

How many years of experience does Nuno have?

Nuno has at least 5 years of experience. During this time, Nuno has worked in at least 1 role and for 9 different companies. The average length of individual experience is 5 months. Note that Nuno may not have shared all experience and actually has more experience.

What roles would Nuno be best suited for?

Based on recent experience, Nuno would be well-suited for roles such as: Author.

What is Nuno's latest experience?

Nuno's most recent position is Author at Journal of Chemical Information and Modeling.

What companies has Nuno worked for in recent years?

In recent years, Nuno has worked for Journal of Chemical Information and Modeling, Journal of Chemical Theory and Computation, Biophys. J., Pharmacol. Res., and Journal of Medicinal Chemistry.

Which industries is Nuno most experienced in?

Nuno is most experienced in industries like Biotechnology, Chemical, and Pharmaceutical.

Which business areas is Nuno most experienced in?

Nuno is most experienced in business areas like Research and Development (R&D).

What is Nuno's education?

Nuno holds a Doctorate in Biochemistry from University of Lisbon, a Master in Biochemistry from University of Lisbon and a Bachelor in Biochemistry from University of Lisbon.

What is the availability of Nuno?

Nuno will be available part-time from January 2026.

What is the rate of Nuno?

Nuno's rate depends on the specific project requirements. Please use the Meet button on the profile to schedule a meeting and discuss the details.