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D. E. Shaw Research
Using paradigm-shifting
computational technologies
to reshape the process
of drug discovery
D. E. Shaw Research develops special-purpose
supercomputers and new computational methods
and uses these technologies to
understand the behavior of pharmaceutically significant
molecules at an atomic level of detail
and to
design precisely targeted new therapeutics for
the treatment of disease
supercomputers and new computational methods
and uses these technologies to
understand the behavior of pharmaceutically significant
molecules at an atomic level of detail
and to
design precisely targeted new therapeutics for
the treatment of disease
Molecular dynamics simulations
that provide us with an ultra-high-resolution window on
the motion and interactions of biological molecules
Special-purpose supercomputers
that dramatically extend the attainable length of
such simulations, revealing previously unseen
biological phenomena
New applications of machine learning
and other transformative methodologies
from the fields of computer science and
applied mathematics
Learn More >
that provide us with an ultra-high-resolution window on
the motion and interactions of biological molecules
Special-purpose supercomputers
that dramatically extend the attainable length of
such simulations, revealing previously unseen
biological phenomena
New applications of machine learning
and other transformative methodologies
from the fields of computer science and
applied mathematics
Learn More >
Elucidating the molecular mechanisms
underlying normal human physiology
and various pathological conditions
Characterizing molecular targets
and identifying new strategies
for pharmaceutical intervention
Developing new computer architectures and algorithms
for use in computational chemistry,
computational biology, and computational
pharmacology
Learn More >
underlying normal human physiology
and various pathological conditions
Characterizing molecular targets
and identifying new strategies
for pharmaceutical intervention
Developing new computer architectures and algorithms
for use in computational chemistry,
computational biology, and computational
pharmacology
Learn More >
Computational design
of candidate drug molecules, in conjunction with
experimental validation, exploration, and refinement
Preclinical studies
using in vitro and in vivo experiments
to assess potential efficacy and safety
Testing in humans
Seven clinical‑stage drugs (three designed
independently by D. E. Shaw Research,
the other four collaboratively)
Learn More >
of candidate drug molecules, in conjunction with
experimental validation, exploration, and refinement
Preclinical studies
using in vitro and in vivo experiments
to assess potential efficacy and safety
Testing in humans
Seven clinical‑stage drugs (three designed
independently by D. E. Shaw Research,
the other four collaboratively)
Learn More >