Skip to main content

Thereza Soares Da Silva

Institution
Universidade Federal de Pernambuco

Projects

Structure and Recognition in Microbial Membranes Proteins, and DNA

Lead Institution
Oak Ridge National Laboratory
Principal Investigator
T. Straatsma
Project type
Capability Research
Developments in simulation methodologies as well as computer hardware have enabled the molecular simulation of biological systems of increasing size and with increasing accuracy, providing molecular…

Advanced Peta-Scale Molecular Dynamics Simulations

Lead Institution
Oak Ridge National Laboratory
Principal Investigator
T. Straatsma
Project type
Capability Research
Next generation supercomputers are expected to have tens of thousands of processors to achieve multiple teraflops, and likely up to hundreds of thousands of processors to achieve multiple petaflops…

Complex Enzymatic Reactions

Lead Institution
Universitat des Saarlandes
Principal Investigator
Volkhard Helms
Project type
Capability Research
This proposal seeks computational resources for the continued development and application of modeling capabilities for the study of complex enzymatic reactions, in particular those that involve…

Advanced Biomolecular Simulations - Development and Applications

Lead Institution
Oak Ridge National Laboratory
Principal Investigator
T. Straatsma
Project type
Capability Research
This project focuses on two important components of biomolecular modeling and simulation: i) the development of novel molecular modeling capabilities and their efficient parallel implementations, and…

Electron and Proton Transfer Reactions in Photobiological H2 Production

Lead Institution
Universidade Federal de Pernambuco
Principal Investigator
Thereza Soares Da Silva
Project type
Capability Research
The biological photoproduction of hydrogen by microbial photosynthetic organism requires light as the energy source, an electron-donating substrate, and a catalyst that combines electrons and protons…

Computer Simulations of Protein-Nanomaterial Interactions

Lead Institution
Universidade Federal de Pernambuco
Principal Investigator
Roberto Lins Neto
Project type
Capability Research
The development of nanotechnology has led to an increasing interest in interfacing biological molecules with nanomaterials. Proteins have been used to functionalize nanomaterials controlling their…