Jump to Research Overview, Funded Research, Virtual Lab Tour.

Research Overview

protein sims

At the GoodViBEs Lab, our research takes on a highly interdisciplinary approach, combining computational chemistry, biophysics, and medicinal chemistry to tackle complex scientific problems. By leveraging advanced molecular simulations and theoretical frameworks, we focus on:

  • The intricate processes of multi-component atmospheric nucleation, unraveling mechanisms that impact climate and environmental systems.
  • The aggregation of biomolecular and supramolecular systems, deepening our understanding of their medical and therapeutic relevance.
  • Complex solvation phenomena, driving protein engineering and molecular design advancements.
  • Explorations of alien atmospheric and biochemical systems.
  • Force field development, improving the accuracy and predictive power of molecular simulations.
  • Computer-aided drug design, accelerating the discovery and development of novel therapeutics within medicinal chemistry.

Funded Research

  • DOST-GIA Grant “Technical Battle Against COVID-19 Design and Synthesis of SARS-COV2, ACE2, SARS-COV2:ACE2 Destabilizing Compounds” 2021
  • DOST-PCHRD Grant “Computer-aided drug design of natural products-based, peptide-based, and synthetic antidiabetic, antifungal, and anticancer lead compounds and derivatives” 2019
  • NSRI Grant “Modelling of Secondary Organic Aerosols Formation from Characteristic Biogenic Volatile Organic Compounds of Luzon” 2019
  • OVCRD Outright Grant “Solvent-induced Conformational Explorations of conotoxins: Implication to the delivery of peptide-based drugs” 2019
  • OVCRD Outright Grant “In silico Protein Engineering of Industrially Relevant Phytases (irHPs) from Hafnia alvei” 2019
  • NSRI Grant “Nucleation Simulations of Atmospherically Relevant Ternary Systems” 2017
  • DA-Biotech Grant “Understanding the Biochemistry of Monoterpene-Octopamine Receptor Interactions for the Selection of Potential Pest Control Bioactives” 2016
  • NEWTON FUND “Structure Elucidation and Characterization of the Venus Kinase Receptors of a Philippine Isolate of Schistosoma japonicum” 2016
  • NSRI Grant “Thermophysical Properties from Nucleation Simulations” 2016
  • EIDR Grant “Towards a Molecular Level Understanding of Essential Oil: Protein Interactions and Their Application as Insect BioControl Agents” 2015
  • NSRI Grant “Cloning, Expression and in silico Studies of Venus Flytrap Module of Venus Kinase Receptors from Philippine Isolate of Schistosoma japonicum” 2015
  • OVCRD Outright Grant “In silico Protein Engineering of Industrially Relevant Pseudomonas aeruginosa Lipase” 2015

Virtual Lab Tour

Take a virtual tour of the GoodViBEs Lab and explore our cutting-edge research and collaborative workspace!