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Natercia Braz

Natercia Braz, based in Munich – Germany, is a Biochemist with a Ph.D. in Computational Chemistry. She joined Cresset’s Discovery team after 12 years in academia as postdoctoral and assistant researcher at the University of Porto (Portugal), University of Arizona (US) and LMU Munich (Germany). Currently, she is part of an expert team providing premium computational chemistry services for a diverse range of projects to Cresset Discovery customers. Natercia supports project strategy, database querying, data generation using multiple tools and models, delivery and discussion of results. She aims to keep customers happy through scientific proficiency.

Science Resources

Prioritization of new molecule designs using QSAR models 2D- and 3D-QSAR studies on SARS-CoV-2 Mpro inhibitors
Application of Free Energy Perturbation (FEP) Methodology for Predicting the Binding Affinity of Macrocyclic JAK2 Inhibitor Analogues of Pacritinib
Abstract Pacritinib, an orally bioavailable macrocyclic inhibitor of Janus Kinase 2, has shown efficacy for the treatment of myelofibrosis....
Application of CADD methods for predicting the potency of macrocyclic JAK2 inhibitors to increase success rate when pursuing challenging designs for synthesis
The development of macrocycles has received increasing interest in drug discovery as a rational approach for restricting the conformation of...
Prioritization of new molecule design using QSAR models – 2D- and 3D-QSAR studies
Introduction The viral main protease Mpro is a crucial enzyme for the replication of the severe acute respiratory syndrome coronavirus...
Computational approaches to prioritize macrocyclic designs for synthesis
We present a digital workflow that can be used to prioritize challenging ligands for synthesis

News Articles

Prioritization of new molecule design using QSAR models – 2D- and 3D-QSAR studies on SARS-CoV-2 Mpro inhibitors
Robust and predictive Quantitative Structure Activity Relationships (QSAR) models can be used to both explain observed activity and to inform...

Blog

Prioritization of new molecule design using QSAR models – 2D- and 3D-QSAR studies on SARS-CoV-2 Mpro inhibitors
Robust and predictive Quantitative Structure Activity Relationships (QSAR) models can be used to both explain observed activity and to inform...