Sorin Lab News

2021 Updates (see archive)

news photo Undergrad lab members Jia Mao & Danna De Boer both received CSULB Summer Research Awards to support their summer research efforts

news photo BME major and Sorin Lab member Jessica Moore has accepted admission to the UC Irvine Biomedical Engineering Ph.D. program for fall 2021

news photo Chem/German double major Danna De Boer was admitted to a research internship in Germany where she'll model gecko surface adhesion

news photo ChemEng major Nguyet Nguyen earned a Best Poster award @ the Spring ACS Meeting and a SoCalGas research assistantship

2020 Updates (see archive)

news photo BS Chemistry major Daniel Figueroa was awarded the 2020 Stern Award for Excellence in Physical Chemistry

news photo Chemical Engineering major Jia Mao was awarded a Women & Philanthropy Scholarship to support his research into BChE inhibition

news photo Congratulations to lab alumnus and University of Chicago Biophysics PhD student Walter Alvarado on becoming a NASA Fellow!

2019 Updates (see archive)

news photo Chemistry MS graduate Parker Bremer has been accepted into the Chemistry PhD program at UC Davis!

news photo CAMS high schooler and Sorin Labber Joceyln Hsu entered the Biomedical Engineering program @ Johns Hopkins University

news photo Chemical Engineering major Nguyet Nguyen received a Women & Philanthropy Scholarship to support her research!

news photo Chemistry major Danna De Boer co-authored her first article, which she'll present at the 2020 Biophysical Society annual meeting in Feb!

Computational Biochemistry & Biophysics

Members of the Sorin Lab study the structure and dynamics of biological molecules via computer modeling and simulation. Using cluster computing and the Folding@Home Distributed Computing Project, we can apply a variety of models and methods to sample large numbers of independent simulations: we are now capable of simulating some molecular events in dynamic equilibrium, making simulation a powerful tool with which to probe topics in molecular biology and biophysics including molecular recognition and drug design, RNA and protein folding, and related processes. [ Click here to apply for a position (.doc application) ]

Sorin Lab August 2020

Top: Nguyet Nguyen, Prof. Eric J. Sorin, Danna De Boer, and Mariell Abad
Middle: Jake Bremer, Vinh Ngo, Jia Mao, and Soriya Ngo
Bottom: Jessie Moore, Daniel Figueroa, Bryan Skorka, and Lydia Neguse

Recent Publications

A Comprehensive Review of Cholinesterase Modeling and Simulation. Danna De Boer, Nguyet Nguyen, Jia Mao, Jessica Moore, & Eric J. Sorin* (2021). Biomolecules, 11, 580, DOI:10.3390/biom11040580.

Overcoming the Heuristic Nature of k-means Clustering: Identification and Characterization of Binding Modes from Simulations of Molecular Recognition Complexes. Parker Ladd Bremer, Danna De Boer, Walter Alvarado, Xavier Martinez, & Eric J. Sorin* (2020). Journal of Chemical Information and Modeling, 60(6), 3081 - 3092, DOI:10.1021/acs.jcim.9b01137.

Understanding the Enzyme-Ligand Complex: Insights from All-Atom Simulations of Butyrylcholinesterase Inhibition. Walter Alvarado, Parker Ladd Bremer, Angela Choy, Helen N. Dinh, Aingty Eung, Jeannette Gonzalez, Phillippe Ly, Trina Tran, Kensaku Nakayama*, Jason P. Schwans*, and Eric J. Sorin* (2019). Journal of Biomolecular Structure & Dynamics, 38(4), doi:DOI:10.1080/07391102.2019.1596836.

Synthesis, biochemical evaluation, and molecular modeling studies of aryl and arylalkyl di-n-butyl phosphates, effective butyrylcho linesterase inhibitors. Kensaku Nakayamaa*, Jason P. Schwans*, Eric J. Sorin*, Trina Tran, Jeannette Gonzalez, Elvis Arteaga, Sean McCoy & Walter Alvarado (2017). Bioorganic & Medicinal Chemistry, 25(12), 3171–3181, doi:10.1016/j.bmc.2017.04.002.

Ensemble simulations: folding, unfolding and misfolding of a high-efficiency frameshifting RNA pseudoknot . Khai K. Q. Nguyen, Yessica K. Gomez, Mona Bakhom, Amethyst Radcliffe, Phuc La, Dakota Rochelle, Ji Won Lee & Eric J. Sorin* (2017). Nucleic Acids Research 45, doi:10.1093/nar/gkx012.

Ensemble Molecular Dynamics of a Protein-Ligand Complex: Residual Inhibitor Entropy Enhances Drug Potency in Butyrylcholinesterase. Eric J Sorin*, Walter Alvarado, Samantha Cao, Amethyst Radcliffe, Phuc La & Yi An (2017). Bioenergetics 6(1), DOI:10.4172/2167-7662.1000145.