Nuno (F. B.) O.-Computational Biochemist
Check rate
Experience
Author
Journal of Chemical Information and Modeling
CpHMD Container - a stochastic constant-pH Molecular dynamics container available to all. (Manuscript in preparation)
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)
Author
Journal of Chemical Theory and Computation
Toward Accurate pH-Dependent Binding Constant Predictions Using Molecular Docking and Constant-pH MD Calculations.
Author
Biophys. J.
Constant-pH MD Simulations of the Protonation-Triggered Conformational Switching in Diphtheria Toxin Translocation Domain
Author
Pharmacol. Res.
A novel combinatory treatment against a CDDP-resistant non-small cell lung cancer based on a Ruthenium(II) cyclopentadienyl compound
Author
Journal of Chemical Information and Modeling
Interfacial Dynamics and Growth Modes of B2-Microglobulin Dimers
Author
Journal of Medicinal Chemistry
Fighting Multidrug Resistance with Ruthenium-Cyclopentadienyl Compounds: Unveiling the Mechanism of P-gp Inhibition
Author
Toxins
Histidine Protonation and Conformational Switching in Diphtheria Toxin Translocation Domain
Author
J. Chem. Inf. Model.
MembIT - a tool to calculate solute membrane insertions and deformations in molecular dynamics simulations
Author
Journal of Chemical Information and Modeling
Novel US-CpHMD Protocol to Study the Protonation-Dependent Mechanism of the ATP/ADP Carrier
Author
Computational and Structural Biotechnology Journal
Predicting stable binding modes from simulated dimers of the D76N mutant of B2-microglobulin
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.
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
Industry experience
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Experienced in Biotechnology, Chemical, and Pharmaceutical.
Business area experience
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Experienced in Research and Development.
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
Education
University of Lisbon
Ph.D. in Biochemistry · Biochemistry · Lisbon, Portugal
University of Lisbon
MSc in Biochemistry · Biochemistry · Lisbon, Portugal
University of Lisbon
BSc in Biochemistry · Biochemistry · Lisbon, Portugal
Statistics
Experience
Expertise
Qualifications
Profile
Frequently asked questions
Have questions? Find more information here.
Nuno is based in Lisbon, Portugal and prefers 100% remote projects.
Nuno speaks the following languages: Portuguese (Native), English (Advanced).
Nuno has at least 6 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.
Based on recent experience, Nuno would be well-suited for roles such as: Author.
Nuno's most recent position is Author at Journal of Chemical Information and Modeling.
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.
Nuno is most experienced in industries like Biotechnology, Chemical, and Pharmaceutical.
Nuno is most experienced in business areas like Research and Development.
Nuno has recently worked in industries like Biotechnology, Pharmaceutical, and Chemical.
Nuno has recently worked in business areas like Research and Development.
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.
The availability of Nuno needs to be confirmed.
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