3D Structure determination of proteins and nanostructured materials with uncertain data via optimization

• Grant number: 21/03269-7
• Support Opportunities: Regular Research Grants
• Start date: February 01, 2022
• End date: January 31, 2024
• Field of knowledge: Engineering - Production Engineering - Operational Research
• Principal Investigator: Luiz Leduíno de Salles Neto
• Grantee: Luiz Leduíno de Salles Neto
• Host Institution: Instituto de Ciência e Tecnologia (ICT). Universidade Federal de São Paulo (UNIFESP). Campus São José dos Campos. São José dos Campos , SP, Brazil
• Associated researchers: Carlile Campos Lavor ; Phillip Duxbury ; Weldon Alexander Lodwick

Abstract

The project aims to continue the research that the proponent has carried out on the Unassigned Distance Geometry Problem (uDGP), in collaboration with researchers Phil Duxbury (Michigan State University), Carlile Lavor (Unicamp) and Weldon Lodwick (University of Colorado Denver). Recently, the proponent, together with professors Duxbury, Carlile Lavor and Leo Liberti (CNRS-France), published an article that presents new optimization models and a matheuristic for the uDGP, considered until this moment an open problem in the area of geometry of proteins. Also recently, the proponent and researcher Weldon Lodwick published a book organizing the optimization theory under generalized uncertainty. This project seeks to develop models and methods for the uDGP with uncertain data, which occurs in laboratory practice, based on motivations presented by experimental researchers in the area of nanomaterials and proteins. The advances made in the project will also be addressed in a book on applications of optimization under generalized uncertainty, contributing to the dissemination and training of new researchers in this field. (AU)

Scientific publications

(5)

(References retrieved automatically from Web of Science and SciELO through information on FAPESP grants and their corresponding numbers as mentioned in the publications by the authors)

COSTA, T. M.; CHALCO-CANO, Y.; OSUNA-GOMEZ, R.; LODWICK, W. A.. Interval order relationships based on automorphisms and their application to interval optimization. INFORMATION SCIENCES, v. 615, p. 12-pg., 2022-10-21. (21/03269-7)

SIMOYAMA, FELIPE DE OLIVEIRA; TOMAS, LIVIA RODRIGUES; PINTO, FELIPE MATHEUS; SALLES-NETO, LUIZ LEDUINO; SANTOS, LEONARDO BACELAR LIMA. Optimal rain gauge network to reduce rainfall impacts on urban mobility - a spatial sensitivity analysis. INDUSTRIAL MANAGEMENT & DATA SYSTEMS, v. 122, n. 10, p. 20-pg., 2022-07-18. (21/03269-7, 16/01860-1)

SIMOYAMA, FELIPE DE OLIVEIRA; CROOPE, SILVANA; NETO, LUIZ LEDUINO DE SALLES; SANTOS, LEONARDO BACELAR LIMA. Optimization of rain gauge networks-A systematic literature review. SOCIO-ECONOMIC PLANNING SCIENCES, v. 86, p. 14-pg., 2023-03-11. (21/03269-7, 16/01860-1)

SIMOYAMA, FELIPE DE OLIVEIRA; CROOPE, SILVANA; TOMAS, LIVIA RODRIGUES; CURTIN, KEVIN M.; PRICE, ASHLEIGH N.; NETO, LUIZ LEDUINO DE SALLES; SANTOS, LEONARDO BACELAR LIMA. Gradual cooperative coverage models for optimally locating rain gauges on an urban transportation network. EXPERT SYSTEMS WITH APPLICATIONS, v. 224, p. 14-pg., 2023-04-06. (21/03269-7, 16/01860-1)

BUTKERAITES, RENAN BRITO CANO; NETO, LUIZ LEDUINO DE SALLES; GENDREAU, MICHEL. A sampling-based multi-objective iterative robust optimization method for Bandwidth Packing Problem. EXPERT SYSTEMS WITH APPLICATIONS, v. 203, p. 8-pg., 2022-10-01. (21/03269-7)