Biomolecular modeling thrives in the age of technology

Tamar Schlick, Stephanie Portillo-Ledesma

Research output: Contribution to journalReview articlepeer-review


The biomolecular modeling field has flourished since its early days in the 1970s due to the rapid adaptation and tailoring of state-of-the-art technology. The resulting dramatic increase in size and timespan of biomolecular simulations has outpaced Moore’s law. Here, we discuss the role of knowledge-based versus physics-based methods and hardware versus software advances in propelling the field forward. This rapid adaptation and outreach suggests a bright future for modeling, where theory, experimentation and simulation define three pillars needed to address future scientific and biomedical challenges.

Original languageEnglish (US)
Pages (from-to)321-331
Number of pages11
JournalNature Computational Science
Issue number5
StatePublished - May 2021

ASJC Scopus subject areas

  • Computer Science (miscellaneous)
  • Computer Science Applications
  • Computer Networks and Communications


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