From my undergraduate to my current position as Postdoctoral Research, I had the opportunity to combine biology/biochemistry with computer science. My research focus is on improving the usability of computational chemistry tools to overcome the initial learning curve barrier and computational technical difficulties (e.g., use of scripting languages), hindering the general use of these programs.

During my Ph.D. in Science Faculty of Porto University, I had the opportunity to develop different VMD third-party tools (plugins) to assist the user in the drug development working on a Computational Chemistry Lab. These tools were based on the worldwide used software, such as VMD, NAMD, AMBER, AutoDock and AutoDock Vina.

As the leading developer of QwikMD, my most recent project, my primary purpose is to develop a tool to assist experimentalists and any novice to MD to overcome the initial learning curve barrier of MD simulation software. QwikMD streamlines common processes, such as the generation of the structure and NAMD configuration files so that the user can focus on the scientific question. Far from being a black box, QwikMD gives the user full access to the options necessary to adjust QwikMD work-flow to the specificity of each project. Even more advanced users can benefit from using QwikMD as the "Advance" mode offers more complex functionalities such as membrane insertion, text mode NAMD configuration edition, creation, and edition of user-defined MD protocols.

Home Department: Beckman Institute for Advanced Science and Technology.

Office Address: Room 3055, Beckman Institute, 405 N. Mathews Avenue, Urbana, Illinois 61801.

Office Phone: (217) 300-5851

Email Address:

LinkedIn page:


  • PhD in Chemistry (2014) - - Faculty of Sciences, University of Porto - Portugal

    Advisor: Dra. Maria João Ramos

  • Diploma Degree in Bioinformatics (2009) - - Biotechnology Superior School, Universidade Católica Portuguesa - Portugal

    Advisor: Dra. Célia Manaia

Research Interests

  • Second-generation Biofuel
  • Protein-Protein interactions
  • Molecular Biology
  • Molecular Docking
  • Molecular Dynamics
  • Molecular Visualization
  • Molecular Structure


QwikMD - Gateway to Easy Simulation

To assist experimentalists and any novice to MD to overcome the initial learning currve barrier of MD simulation software, we developed QwikMD, a user interface that connects the widely employed and user-friendly molecular graphics program VMD to the widely adopted MD program NAMD.

By enabling easy control of every step, QwikMD, meets even the needs of experts in the field, increasing the efficiency and quality of their work.

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QwikMD offers:

  • Easy Setup of MD Simulations

  • Point Mutations

  • Changes in Protonation

  • Protocols for MD and SMD

  • Live View Simulations

  • Integrated Basic Analysis

  • Info Buttons to Guide Novices

  • Advanced Protocols

  • Membrane Environment

  • Advanced Analysis

  • Available on Amazon Cloud

  • Full log Capabilities

  • Easy Reproducibility

Previous Work

My previous work was dedicated to the development of VMD plugins aiming to aid the user in the use commonly applied computational chemistry techniques, such as Molecular Docking (vsLab), Molecular Volume and Surface calculation(VolArea), Computational Alanine Scanning Mutagenesis(compASM) and to locate chemical motifs in protein structures(Chem-Path-Tracker)


TCBG Calendar 2015. TCBG Calendar 2015 (2). TCBG Calendar 2016. TCBG Calendar 2017.