Munir Skaf

Institute of Chemistry and Center for Computing in Engineering and Science - CCES, University of Campinas

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Papers 5

Adaptive Steered Molecular Dynamics Study of Mutagenesis Effects on Arabinoxylan Substrate Affinity in GH62
COSTA, Clauber Henrique Souza da ¹
SKAF, Munir ²
¹ Universidade Estadual de Campinas
² Universidade Estadual de Campinas / Instituto de Química / Departamento de Fisico-Química
Vol 2, 2023 -
165180

Molecular Dynamics

Pôster / Poster
Predicting Glycosyl Hydrolase Interactions and Components using Advanced Machine Learning Techniques
MONTEIRO, Alberto ¹
SKAF, Munir ²
¹ Universidade Estadual de Campinas
² Universidade Estadual de Campinas / Instituto de Química / Departamento de Fisico-Química
Vol 2, 2023 -
165772

Machine Learning/Artificial Intelligence

Oral
Atomistic modeling of plant cell wall and mechanical properties using molecular dynamic simulations
BATISTA, Carlos Guilherme Tissi ¹
TRENTIN, Lucas ²
ALCANTARA, Amadeus ²
SKAF, Munir ³
¹ Universidade Estadual do Norte Fluminense Darcy Ribeiro
² Universidade Estadual de Campinas
³ Universidade Estadual de Campinas / Instituto de Química / Departamento de Fisico-Química
Vol 2, 2023 -
165192

Molecular Dynamics

Pôster / Poster
Molecular modeling investigation of Impact of Tyrosine Y73 mutation in Thermobifida fusca Endoglucanase Cel6A on substrate ring distortion.
AHMAD, Shabir ¹
SKAF, Munir ²
¹ Universidade Estadual de Campinas
² Universidade Estadual de Campinas / Instituto de Química / Departamento de Fisico-Química
Vol 2, 2023 -
165775

Molecular Dynamics

Pôster / Poster
Structural Dynamics and Solvation a β-glucosidase in Aqueous Solutions containing Glucose
RAMOS, Felipe Cardoso ¹
MARTINEZ, Leandro ¹
SKAF, Munir ¹
¹ Institute of Chemistry and Center for Computing in Engineering and Science - CCES, University of Campinas
Vol 2, 2023 -
165109

Molecular Dynamics

Pôster / Poster

SBQT 2023

Anais do Simpósio Brasileiro de Química Teórica
Proceedings of the XXII Brazilian Symposium on Theoretical Chemistry - Vol. 2 2023

Munir Skaf

Adaptive Steered Molecular Dynamics Study of Mutagenesis Effects on Arabinoxylan Substrate Affinity in GH62

Predicting Glycosyl Hydrolase Interactions and Components using Advanced Machine Learning Techniques

Atomistic modeling of plant cell wall and mechanical properties using molecular dynamic simulations

Molecular modeling investigation of Impact of Tyrosine Y73 mutation in Thermobifida fusca Endoglucanase Cel6A on substrate ring distortion.

Structural Dynamics and Solvation a β-glucosidase in Aqueous Solutions containing Glucose

Co-authors (8)

Felipe Cardoso Ramos

Leandro Martinez

Clauber Henrique Souza da Costa

Carlos Guilherme Tissi Batista

Lucas Trentin

Amadeus Alcantara

Alberto Monteiro

Shabir Ahmad

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