VDAC Solvation Free Energy Calculation by a Nonuniform Size Modified Poisson-Boltzmann Ion Channel Model

no code implementations • 25 May 2024 • Liam Jemison, Matthew Stahl, Ranjan K. Dash, Dexuan Xie

Our test results underscore the importance of considering non-uniform ionic size effects and demonstrate the high performance of the VSFEC package in calculating the solvation free energy of VDAC proteins.

Physiologically-Based Pharmacokinetic Modeling of Blood Clearance of Liver Fluorescent Markers for the Assessment of the Degree of Hepatic Ischemia-Reperfusion Injury

no code implementations • 10 Feb 2023 • Christopher Monti, Said H. Audi, Justin Womack, Seung-Keun Hong, Yongqiang Yang, Joohyun Kim, Ranjan K. Dash

Next, based on these SF concentration data, we generated a liver-centric, physiologically-based pharmacokinetic (PBPK) model of SF liver uptake and clearance via the bile.

Simulating the Evolution of Signaling Signatures during CART-Cell -- Tumor Cell Interactions

no code implementations • 8 Feb 2023 • Viren Shah, Justin Womack, Anthony E. Zamora, Scott S. Terhune, Ranjan K. Dash

Immunotherapies have been proven to have significant therapeutic efficacy in the treatment of cancer.