Sep-2022. We published five papers on computational peptide/protein by our own or with our experimental collaborators. These papers discussed the impact of peptide fusion, phosphorylation and mutation on the effect of protein conformation and related functions. They build a ground for our effort in computational understanding of cancer proteins and the design of therapeutic proteins/peptides.
Sep-2022. Our group has experienced a wonderful summer.
Dr. Qi finished her postdoctoral with our group and has moved to medical school at the University of Kentucky. Wish her a bright future!
Tien won a DOE-SCGSR and is conducting his research about quantum computing and developing advanced solvents for CO2 capture and conversion.
Usman conducted an internship at J&J to conduct molecular modeling of proteins.
Dr. Shao participated in FOMMS and ACS meetings and presented our research.
Our group rewarded two internal pilots from the medical school of the University of Kentucky and one grant from NSF. These grants will enable us to combine machine learning with molecular simulations to investigate complex phenomena in proteins and separations.
Oct-2021 Qi published a paper about the solvation of enzymes in aqueous deep eutectic solvents on PCCP. Congratulations! Link
August-2020 Dr. Qi Qiao joined us from Oklahoma. Welcome!
Tien published his second first-author paper on Fluid Phase Equilibria. (Link) Congrats!
This paper is about the effect of ZW materials on ionic solvation and transport in PEO
Nan, the visiting student published a machine learning paper on the Journal of Physical Chemistry C (Link) Congrats!
This research is to develop a deep-learning neural network force field for Li-Si systems
Dr. Shao published a paper on the "Journal of Materials Chemistry B Emerging Investigators". (Link)
This paper is to investigate the allosteric effect of peptides on recombinant proteins
Dr. Shao published a 1st author paper on PNAS based on his postdoc. work at NCSU. (Link)
This paper focuses on understanding the mechanisms governing the co-assembly of peptides. Here are some new reports about this paper.
Tien published his first first-author paper on J. Chem. Eng. Data. Congrats! (Link)
Tien gave his first oral presentation at the AIChE annual meeting in Orlando FL
Tien presented his research results in MACE symposium.
He is designing new electrolyte materials for batteries using computer simulations
Emmi and Hunter, two undergraduate students (EGR 199), presented their research in the 13th annual Showcase of Undergraduate Scholars