Martin Karplus, the esteemed theoretical chemist and Nobel laureate, passed away on December 28, 2024, at the age of 94. Professor Karplus was renowned for his pioneering work in developing computational models to study biomolecular interactions. He played a key role in the development of CHARMM (Chemistry at HARvard Macromolecular Mechanics), which has become a fundamental tool in computational chemistry and biophysics, advancing our understanding of biological processes at the molecular level and helping design new therapies. Professor Karplus’s work, including his role in developing CHARMM, earned him the Nobel Prize in Chemistry in 2013, shared with Michael Levitt and Arieh Warshel, for their pioneering contributions to the field of computational chemistry.
Here is what our Chief Strategy Officer, Dr. Reza Sadeghi wrote about Professor Martin Karplus:
Martin Karplus’s legacy transcends his scientific achievements, living on in the countless scientists he mentored myself among them, and inspired to push the boundaries of traditional chemistry. His vision and generosity of spirit have left an indelible mark on the scientific community. Martin’s passing marks the end of an era, but his work remains a cornerstone of modern chemistry, shaping the field for generations to come. I will deeply miss his wisdom and the kindness with which he shared it.
Martin Karplus, a towering figure in theoretical chemistry, profoundly reshaped the field of molecular simulation. Awarded the Nobel Prize in Chemistry in 2013, Karplus pioneered computational methods to model and predict the behavior of complex chemical systems, bridging the gap between theoretical frameworks and experimental science. His groundbreaking work laid the foundation for modern computational chemistry, enabling researchers to visualize molecular dynamics and understand chemical interactions with unprecedented accuracy.
Among his monumental contributions was the development of CHARMM a program that revolutionized molecular dynamics simulations. CHARMM became essential to pharmaceutical research and materials science, unlocking insights into protein folding, drug design, and molecular interactions. Its integration into Discovery Studio amplified its impact, providing an accessible platform for scientists to leverage its capabilities in tackling real-world challenges.
At Dassault Systèmes, we are grateful for Professor Martin Karplus’s contributions to the field of computational chemistry, enabling countless discoveries in biology and advancing drug design. His legacy will continue to inspire future generations of scientists, and his impact on the scientific community will be remembered and cherished for years to come.
Ceren Tuzmen Walker is an accomplished Senior Manager of Brand Marketing at BIOVIA. With degrees in Molecular Biology and Genetics, Computational Biology, and Bioengineering, Ceren has an extensive research background and exceptional communication skills that make her an invaluable asset to the organization. Ceren's track record of success is evident through her previous experience leading marketing initiatives at the University of Pittsburgh, where she was instrumental in driving scientific innovation towards commercialization.