Modeling Simulation and Analysis for Biomaterials & Biotechnology



Creation of stable water-free antibody based protein liquids

Communications Materials 2021

Protein liquids


Extensive molecular dynamics simulations are carried out under extreme conditions to investigate the mechanism for creation of stable water-free antibody based protein liquids. … Read more →

Gamma estimator of Jarzynski equality for recovering binding energies from noisy dynamic data sets

Nature Communications. 2020

Atomic Force Microscopy


A novel statistical method is employed to calcuate binding free energy of a single peptide on gold surface from data collected from single molecule pulling experiments. … Read more →

Peptide interactions with zigzag edges in graphene.

Communications Materials 2021

Protein liquids


A peptide is designed for the recognition of graphene edges. Its functional mechanism is studied using molecular dynamics simulations. … Read more →

Peptide Functionalized Gold Nanorods for the Sensitive Detection of a Cardiac Biomarker Using Plasmonic Paper Devices

Scientific Reports. 2015

Peptide Sensing Troponin I


A peptide is characterized for the detection of Troponin I at physiological concentration. … Read more →

Biomimetic chemosensor: designing peptide recognition elements for surface functionalization of carbon nanotube field effect transistors

ACS Nano. 2010

Peptide Sensing TNT


A hairpin bifunctional peptide is designed and characterized. One side anchors on a single-wall carbon nanotube. The other side binds to explosive TNT. … Read more →

Transpath: A computational method for locating ion transit pathways through membrane proteins

Proteins. 2007

Chloride channel pathway


Here, we propose a new pore‐searching algorithm (TransPath), which uses the Configurational Bias Monte Carlo (CBMC) method to generate transmembrane trajectories driven by both geometric and electrostatic features. … Read more →

A Quantitative Analysis of the Feynman- and Rossi-Alpha Formulaswith Multiple Emission Sources

NUCLEAR SCIENCE AND ENGINEERING. 2000

Feynman-Rossi Formula


Analytical formulas have been derived for the Feynman- and Rossi-Alpha measurements in accelerator-driven systems. … Read more →

SPECTRUM OF THE TRANSPORT OPERATORIN A NONUNIFORM SLAB WITH GENERALIZEDBOUNDARY CONDITIONS

Transport Theory and Statistical Physics. 2002

Spectrum of transport operator


Spectral properties of the transport operator in a nonuniform slab with generalized boundary conditions were studied. … Read more →