SMOL

Version: 0.0.3

SMOL SMOL (Smoluchowski Solver @ Molecular level) provides an efficient way to solve Smoluchowski diffusion equation with Finite Element Tool Kit (FETK). It reads the potential profile from APBS or from the PB-BEM solver by Dr. Benzhuo Lu. It can calculate the kon constant of an enzyme during the steady-state and time-dependent Smoluchowski diffusion (Currently only steady-state Smoluchowski solver was released.)

Please acknowledge the use of NBCR software: "This project was supported by grants from the National Center for Research Resources (5P41RR008605-19) and the National Institute of General Medical Sciences (8 P41 GM103426-19) from the National Institutes of Health"

SMOL Citation: [plain text]