Villar, PhD

Affiliate Research Fellow, Drug Discovery Research Center, University of Miskolc (Hungary)
Research SupervisorScience Abroad Program (CHM 396Y0), University of Toronto (Canada)
Project LeaderMarine Transportation Information System (PCIEERD-DOST funded project)
Technical ConsultantCyber-Physical Transportation System (PCIEERD-DOST funded project)

I can be reached through email at


My area of specialization is complex systems modeling, with a focus on quantum chemical systems and intelligent transport systems. Specifically, I am interested in, but not limited to, the following topics:
  • Mathematical Aspects of Peptide Conformational Analysis Through Quantum Chemical Calculations
  • Computational Network Biology (Protein Complex Detection in PPI Networks, Chemical Reaction Network Theory)
  • Macroscopic and Mesoscopic Modeling of Intelligent Transportation Systems
  • Stochastic Modelling, Numerical Optimization and Graph-Theoretic Applications in Bioinformatics and Systems Biology
  • Algebraic Systems Biology (Process Algebra and Natural Computing)
  • Reaction Kinetics Modeling (Biochemical Systems Theory)

Trivia: The known upper bound of my Erdös number is 4 (via S. Marcus --> G. Paun --> H. Adorna).


I am actively involved in the following ongoing research projects:

1. Construction of Potential Energy Hypersurfaces for Protein Structure Prediction through Quantum Chemical Calculations
Research project with Adrian Roy Valdez, Ph.D., David Setiadi, Ph.D.  (University of Toronto, Canada) and Imre Csizmadia, Ph.D. (Hungarian Academy of Sciences and University of Toronto, Canada)
This study aims to construct precise potential energy surfaces (PES) of different amino acids through ab initio calculations to provide insights on the potential energy hypersurface given an amino acid sequence. We intend to compare our findings to results from well-known force fields, among others. Furthermore, the relationship between polypeptide PES and amino acid PES are also explored.

2. Modeling Dopamine D1 Receptor Availability and Intracellular Trafficking in Renal Proximal Tubule Cells 
Research project with Carlene P. C. Pilar-Arceo, Ph.D. (Institute of Mathematics, UPD) and Eduardo Mendoza, Ph.D. (The Max Planck Institute of Biochemistry, Germany)
This attempts to model the dynamics of dopamine D1 receptor trafficking inside human renal proximal tubule cells, as well as its availability at the cell surface. It is known that dopamine synthesis and D1 receptor function affects sodium excretion in genetically hypertensive individuals. Kinetic modeling and mathematical analyses using Chemical Reaction Network Theory help us provide insights about the existence and multiplicity of steady states, as well as their stability if it exists.

3. Marine Transportation Information System (MARIS) - Phase 1 (Project Leader)
This project addresses the areas of intelligent transport systems for maritime industry in the Philippines through the development and deployment of software and tools needed for a prototype forecasting system. In particular, the project targets the operation of the software components by developing and designing modular offline mechanisms for an effective Route Capacity Measurement System.

4. Cyberphysical Transportation Systems (CPTS) - Phase 1 (Technical Consultant)
PCIEERD-DOST funded project with Dr. Adrian Roy Valdez, Ph.D. as the Project Leader, in collaboration with UP National Center for Transportation Studies and UP Electrical and Electronics Engineering Institute
This project tries to design an intelligent land vehicle control system with advanced computing and sensing capabilities to improve safety and throughput to meet increasing transportation demands. I am currently involved in the Software Development and R&D components of the project, where my team works with calibrating models of macroscopic traffic demand and traffic intersection optimization.


* Restricted access to SCL members and associates only