Recent News

Lillian Chong Presented Protein-protein Binding Pathway using Fully-continuous, Explicit-solvent Simulations

  • By Huiling Shao
  • 12 February 2019


The latest study by Lillian Chong and Ali Saglam in her group demonstrated the power of the weighted ensemble (WE) strategy in enabling explicit-solvent MD simulation of a protein–protein binding process.(Click here for the protein-protein binding simulation video) Their results provide a number of insights regarding the binding mechanism that cannot be obtained by laboratory experiments.

The research by Lillian Chong group appeared in the Royal Society of Chemistry journal Chemical Science (DOI: 10.1039/C8SC04811H). The WE strategy and others like it have great promise in providing insights involving binding kinetics for a variety of research areas, including biophysics, catalysis, protein engineering, and material design.


Peng Liu Awarded Maximizing Investigators' Research Award Grant from National Institutes of Health

  • By Huiling Shao
  • 5 February 2019

Peng Liu has been awarded a five-year Maximizing Investigators' Research Award (MIRA) grant from the National Institutes of Health (NIH). The five-year, $1.8 million grant will support Peng group's research in developing quantum mechanics based computational tools to study organic and organometallic reactions. They study how reactions occur, factors controlling rates and selectivity, and provide theoretical insights to help develop improved catalysts and reagents.

Highlighted on Science Magazine! Mason Awardee Susan Fullerton Display Benefits of Outsider Perspectives

  • By Huiling Shao
  • 29 January 2019

Susan Fullerton, an assistant professor of chemical and petroleum engineering at the University of Pittsburgh, is one of five winners presented with the 2019 AAAS Marion Milligan Mason Awards for Women in the Chemical Sciences at a 13 December awards ceremony at the American Association for the Advancement of Science headquarters.

She and her team had created a new ion conductor with a particularly unique property: once the transistor was turned on it stayed on, and once it was turned off it stayed off in the absence of a power supply. This enables memory sticks to store information even when they are disconnected from a computer. Fullerton envisions a future where this type of switching could lead to a memory stick that operates on much lower power than those on the market today and to devices with never-before-seen properties, such as one that can be triggered to permanently destroy its data if it falls into the wrong hands.

The 2019 winners are the third group of Mason awardees. AAAS plans to build a community of alumni, like what it has done with the L'Oréal USA Fellowships for Women in Science. Applications for the 2021 Mason Awards open in fall 2019.