Nanoscale Molecular Dynamics is computer software for molecular dynamics simulation, written using the Charm++ parallel programming model. It is noted for its parallel efficiency and is often used to simulate large systems. It has been developed by the collaboration of the Theoretical and Computational Biophysics Group (TCB) and the Parallel Programming Laboratory (PPL) at the University of Illinois Urbana–Champaign.
Visual Molecular Dynamics (VMD) is a molecular modelling and visualization computer program. VMD is developed mainly as a tool to view and analyze the results of molecular dynamics simulations. It also includes tools for working with volumetric data, sequence data, and arbitrary graphics objects. Molecular scenes can be exported to external rendering tools such as POV-Ray, RenderMan, Tachyon, Virtual Reality Modeling Language (VRML), and many others. Users can run their own Tcl and Python scripts within VMD as it includes embedded Tcl and Python interpreters. VMD runs on Unix, Apple Mac macOS, and Microsoft Windows. VMD is available to non-commercial users under a distribution-specific license which permits both use of the program and modification of its source code, at no charge.
The Beckman Institute for Advanced Science and Technology is a unit of the University of Illinois Urbana-Champaign dedicated to interdisciplinary research. A gift from scientist, businessman, and philanthropist Arnold O. Beckman (1900–2004) and his wife Mabel (1900–1989) led to the building of the Institute which opened in 1989. It is one of five institutions which receive support from the Arnold and Mabel Beckman Foundation on an ongoing basis. Current research at Beckman involves the areas of molecular engineering, intelligent systems, and imaging science. Researchers in these areas work across traditional academic boundaries in scientific projects that can lead to the development of real-world applications in medicine, industry, electronics, and human health across the lifespan.
Martin Karplus is an Austrian and American theoretical chemist. He is the Director of the Biophysical Chemistry Laboratory, a joint laboratory between the French National Center for Scientific Research and the University of Strasbourg, France. He is also the Theodore William Richards Professor of Chemistry, emeritus at Harvard University. Karplus received the 2013 Nobel Prize in Chemistry, together with Michael Levitt and Arieh Warshel, for "the development of multiscale models for complex chemical systems".
Norman Richard Pace Jr. is an American biochemist, and is Distinguished Professor Emeritus of Molecular, Cellular and Developmental Biology at the University of Colorado. He is principal investigator at the Pace lab.
Martin Gruebele is a German-born American physical chemist and biophysicist who is currently James R. Eiszner Professor of Chemistry, Professor of Physics, Professor of Biophysics and Computational Biology at the University of Illinois Urbana-Champaign, where he is the principal investigator of the Gruebele Group.
M. Christina White is a professor of chemistry at the University of Illinois at Urbana-Champaign. Her research in the field of organometallic catalysis focuses on developing highly selective carbon–hydrogen bond activation methods to streamline the process of complex molecule synthesis.
Taekjip Ha is a South Korean-born American biophysicist who is currently a Bloomberg Distinguished Professor of Biophysics and Biomedical Engineering at Johns Hopkins University. He was previously the Gutgsell Professor of Physics, at University of Illinois at Urbana-Champaign where he was the principal investigator of Single Molecule Nanometry group. He is also a Howard Hughes Medical Institute investigator.
Martin D. Burke is the May and Ving Lee Professor for Chemical Innovation at the University of Illinois at Urbana–Champaign, and Associate Dean of Research in the Carle Illinois College of Medicine. His research has involved the development of antifungal treatments for cystic fibrosis, and the development of a COVID-19 test that the University of Illinois has used over one million times.
Klaus Schulten was a German-American computational biophysicist and the Swanlund Professor of Physics at the University of Illinois at Urbana-Champaign. Schulten used supercomputing techniques to apply theoretical physics to the fields of biomedicine and bioengineering and dynamically model living systems. His mathematical, theoretical, and technological innovations led to key discoveries about the motion of biological cells, sensory processes in vision, animal navigation, light energy harvesting in photosynthesis, and learning in neural networks.
Nancy Makri is the Edward William and Jane Marr Gutgsell Endowed Professor of Chemistry and Physics at the University of Illinois Urbana–Champaign, where she is the principal investigator of the Makri Research Group for the theoretical understanding of condensed phase quantum dynamics. She studies theoretical quantum dynamics of polyatomic systems, and has developed methods for long-time numerical path integral simulations of quantum dissipative systems.
Rommie E. Amaro is a professor and endowed chair of chemistry and biochemistry and the director of the National Biomedical Computation Resource at the University of California, San Diego. Her research focuses on development of computational methods in biophysics for applications to drug discovery.
Steve Granick is an American scientist and educator. In 2023 he joined the University of Massachusetts-Amherst as the Robert Barrett Endowed Chair of Polymer Science and Engineering, with joint appointment in the Chemistry, Physics, and Chemical Engineering Departments after serving as director of the Institute for Basic Science Center for Soft and Living Matter, an interdisciplinary blue-sky research center in Ulsan, South Korea that pursues basic science research. Until 2015 he was professor at the University of Illinois at Urbana-Champaign. He is a member of the American Academy of Arts and Sciences and the U.S. National Academy of Sciences.
Susan A. Martinis is an American biochemist. She has co-authored over 57 publications in peer reviewed journals and scientific book chapters. Her expertise is in protein:RNA interactions and aminoacyl tRNA synthetases. As of 2019, she is the Vice Chancellor for Research and Innovation at the University of Illinois at Urbana-Champaign.
Barry H. Honig is an American biochemist, molecular biophysicist, and computational biophysicist, who develops theoretical methods and computer software for "analyzing the structure and function of biological macromolecules."
Kandice Tanner is a Trinidad and Tobago biophysicist researching the metastatic traits that allow tumor cells to colonize secondary organs. She is a Senior Investigator at the National Cancer Institute, where she is head of the Tissue morphodynamics section.
Elizabeth Villa is an American biophysicist who is Associate Professor at the University of California, San Diego. Her research considers the development of Cryo Electron Tomography and structural biology. She was named a Howard Hughes Medical Institute Research Investigator in 2021.
Markita del Carpio Landry is a Bolivian-American chemist who is an assistant professor in the department of chemical engineering at the University of California, Berkeley. Her research considers nanomaterials for brain imaging and the development of sustainable crops. She was a recipient of the 2022 Vilcek prize for creative promise. del Carpio Landry's work has been featured on NPR, popular mechanics, the San Francisco Chronicle, and C&E News.
Wilfred A. van der Donk is a Dutch–American enzymologist and chemical biologist. He is the Richard E. Heckert Chair in Chemistry at the University of Illinois Urbana-Champaign.
Michelle Digman is an American chemist who is an associate professor at the University of California, Irvine. She is Director of W.M. Keck Nanoimaging Lab and co-leads the Laboratory for Fluorescence Dynamics. Her research develops imaging technologies to better understand biological problems.
"Simulations of Ribosome Biogenesis on the Whole Cell Level", Zan Luthey-Schulten, NCSAatIllinois
