About

Hector Martinez-Seara is the group leader of the High Performance Computing Core Facility and a Scientist in Pavel Jungwirth’s group at the Institute of Organic Chemistry and Biochemistry (IOCB) in Prague, Czech Republic. He earned his Ph.D. in Chemistry from the University of Barcelona in 2010, followed by postdoctoral training under prof. Ilpo Vattulainen in Tampere University (Finland) until 2016. His research primarily focuses on biomolecular simulations using classical molecular dynamics. An active lecturer and mentor, Dr. Martinez-Seara frequently presents his work at international conferences dedicated to biophysics and computational biology.

Research interests

Hector’s scientific expertise and enduring passion lie in the biophysics of biological membranes. His current research centers on the glycocalyx—the complex carbohydrate-rich  outer layer enveloping cell membranes—with a particular emphasis on the structural and functional roles of glycosaminoglycans. He actively contributes to the development of both all-atom and coarse-grained molecular force fields. Recently, he introduced the prosECCo75 force field, addressing the critical need for electronic polarizability within classical frameworks, significantly improving charge-charge interactions fundamental to biological systems. Additionally, Hector developed modeling tools such as doGlycans and MEMBPLUGIN.

Working with BioExcel

Over his career, Hector has contributed extensively to the field of computational biology, authoring more than 60 peer-reviewed publications. His work, extensively supported by the molecular dynamics software GROMACS, a tool developed under the BioExcel initiative, has had significant impact in his career. Committed to this valuable community, he now serves as a BioExcel ambassador, actively disseminating knowledge, supporting scientific collaboration, and promoting events such as the excellent 2nd BioExcel Conference on Advances in Biomolecular Simulations in Brno where he presented his prosECCo75 force field.

Learn more about the BioExcel Ambassador Program