Scientific Program

Day 1

31/07

8h - 10h Credenciamento

8:50 - 9h

Sessão de Abertura

09h- 9:40

Talk: Interação de peptídeos bioativos em membranas biológicas e receptores específicos

Ernesto Caffarenna

Chair Ana Ligia

09:40h - 10h20

Talk: Calculating the strength of protein-protein association by machine learning ensemble methods

Roberto Lins

Chair: Pedro Pascutti

10:20h - 11h

Coffe Break/Poster Session

11h00 - 11:40h

Talk: Unveiling Overlooked Pathways: Reconstructing the Uric Acid Catabolism in Homo sapiens

Mariana Quezado

Chair Vinicius Maltarollo

11h40 - 12h30

Oral Presentation Session I: Chair Roberto Lins

12:30h-13:40h Lunch

13h40 -14h20

From Algorithms to Antifungals: AI's Impact on Drug Discovery

Vinicius Maltarollo

Chair: Ana Lígia Scott

14h20 - 15h40

Sessão Oral II- Chair Ernesto Cafarena

15h40- 16:00h

Coffe Break/Poster Session

16:00h- 16h40

TalK: Development of low-mass peptides with affinity to the human muscular nicotinic acetylcholine receptor (HmnAChR)

Leonardo Azevedo Calderon

Chair: Angelo Magro

16:40h- 17h20

Unraveling the mechanisms of substrate and small molecule binding in proteins

Guilherme Arantes

Chair: Roberto LIns

17:20h- 18:00

Talk: Structure-based discovery of novel cruzain inhibitors with distinct trypanocidal activity profiles

Pedro Geraldo Pascutti

Chair: Ernesto Cafernna

Day 2

01/08

08:45h-09:25

Sessão Oral III- Chair Hugo Verli

09h30-10h10

Talk: Insights from druggable hot spots to drug development

Marcelo Castilho

Chair: Ana Lígia Scott

10h20-11h

Coffe Break/Poster

11h-12:00h

Oral Presentation Session IV- Chair Paulo Ricardo

12h-12:30h

Pursuing the structural basis for carbohydrates biological functions

Hugo Verli

Chair: Ernesto Cafarenna

12:30h-14h00

Lunch

14h-14:40

Talk:The Leishmania spp. TERT telomerase component: structural and functional features

Maria Isabel Nogueira Cano

Chair: Angelo Magro

14:40h-15:20h

Oral Presentation Session V- Chair: Paula Homem de Mello

15:30h-16:10h

Apresentação Versatus/Dell/AMD

16h10-17:30h

Hands on : Hybrid methods Theoretical part

David Perahia, Ana Ligia Scott , Angelo Magro e Paulo Ricardo Batista

17:30h

Cultural Activity and Coquetel

18:00

Cultural Activity : Coro UFABC

18:30

Coquetel com o João Ciriaco Quarteto de Jazz

https://www.youtube.com/watch?v=xK2CbAz4Na8

Day 3

02/08

8:30h-10:45h

Hands on : Hybrid methods (Laboratory)

David Perahia, Ana Ligia Scott, Angelo Magro e Paulo Ricardo Batista

10:45h-11h15

Coffe Break and Poster

11:15h-12:00

Computational Methods Applied to Molecular Description of Catalysis and Enzymatic Inhibition.

Jerônimo Lameira

Chair: Paulo Ricardo

12h00-13:30h

Lunch

14h00-14:40h

Study of the action and interaction of peptides with antimicrobial and anticancer potential with cell membrane models and cell culture by computational and experimental biophysical methods.

Alexandre Suman

Chair Ana Ligia

14h40-15h20

Talk: WHEN CHEMISTS GO TARGET FISHING: LIGAND- AND STRUCTURE-BASED APPROACHES

Karen Cacilda Weber- Universidade Federal da Paraíba

Chair: Paula Homem de Mello

15h20-16h00

Talk: Design of compounds for photodynamic therapy

Paula Homem de Mello

Chair : Ernesto Caferenna

16h00-16:40h

Talk:50 ANOS DE SIMULAÇÕES DE DINÂMICA DE BIOMOLÉCULAS

From picosecond to millisecond (or more):

Almost 50 years of (bio-) molecular dynamics simulations

Paulo Bisch

Chair: David Perahia

16h40

Best Poster and Best Oral Presentation

Closing Session

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