Micholas Dean Smith

Secondary-Structure-Dependent Cooperation and Interference Between Peptides of Different Chain Lengths in Antifreeze Activity: Insights from Molecular Dynamics Simulations

Yuan Yuan, Micholas Dean Smith, Tong Wang

Ice recrystallization inhibition (IRI) activity of peptides is influenced by both peptide length and secondary structure; however, whether combinations of peptides with different lengths exhibit cooperative or antagonistic effects remains poorly understood. Using molecular dynamics simulations, this study investigated how secondary structure …

us (code pays fourni par la source)

Development of CAR NK Cell Lines Selectively Targeting Cancer Cells Expressing Membrane Hsp70

Khouloud Hachani, Mina Yazdi, Charlotte Carcopino, Fatemeh Khademi Moghadam et autres

An effective chimeric antigen receptor (CAR)-based immunotherapy depends on both a suitable immune cell platform and a tumor-specific antigen to overcome barriers in solid tumors. Natural killer (NK) cell lines are promising platforms for CAR constructs due to their inherent tumor-killing ability, …

de, us (code pays fourni par la source)

Reparameterizing a Lipid Force Field Using Small-Angle X-ray Scattering to Improve Predictions of Multicomponent Membranes under Organic Solvent Stress

Omar Demerdash, Micholas Dean Smith, Lee‐Ping Wang, Sai Venkatesh Pingali et autres

Understanding and predicting properties of lipid-bilayer membranes are essential to elucidating organismal physiology and pathophysiology. Therefore, substantial efforts have been undertaken to derive accurate molecular-mechanics force fields (FF) to allow simulation of their properties; however, much of these past efforts focused on …

us (code pays fourni par la source)

BPS2026 – Amphiphilic co-solvents alter lateral membrane organization

Luoxi Tan, Haden L. Scott, Micholas Dean Smith, Sai Venkatesh Pingali et autres

us (code pays fourni par la source)

Tailoring Lignin Glass Transition for Enhanced PBAT Biocomposite Performance

Nara Han, Seoku Lee, Derya Vural, Semin Lee et autres

Simulation and generalized Langevin equation study of lipid subdiffusion in biomembrane phases

Sheeba Malik, Gerald Reinhard Kneller, Micholas Dean Smith, Jeremy C. Smith

us, fr (code pays fourni par la source)

Divergent responses of branched and straight-chain lipid membranes to butanol stress revealed by molecular dynamics simulation

Joshua O. Aggrey, Micholas Dean Smith, Omar Demerdash, Robert F. Standaert et autres

us (code pays fourni par la source)

Exploring Peptide’s Antifreeze Activity Using a Semi-Automated Molecular Dynamics-Enabled Screening Framework

Yuan Yuan, Micholas Dean Smith, Vermont P. Día, Tong Wang

The generation of molecular dynamics input files for the study of protein and peptide antifreeze behavior is time-consuming and tedious. This study presents the use of a nonequilibrium molecular dynamics simulations pipeline to infer relative rankings of the ice refreezing inhibition or …

us (code pays fourni par la source)

Molecular simulation and artificial intelligence for the circular economy of bioenergy and bioproducts

Jeremy C. Smith, Micholas Dean Smith, Shih‐Hsien Liu, Shalini J. Rukmani et autres

us (code pays fourni par la source)

Identification of an ice recrystallization inhibiting albumin protein from wheat flour and insights from molecular dynamics simulation

Yuan Yuan, Micholas Dean Smith, Derya Vural, Hari B. Krishnan et autres

us (code pays fourni par la source)

LISHURS 2024 Assignments

MP Mametja, Lawrence C. Peters, S Shibe, G Maserumule et autres

Library and Information Services Honours and Undergraduate Seminar (LISHURS) is an annual event organized and hosted by the Department of Library and Information Services, Teaching and Learning Division, at the University of the Free State. The purpose of the seminar is to …

LISHURS 2024 Assignments

MP Mametja, Lawrence C. Peters, S Shibe, G Maserumule et autres

Library and Information Services Honours and Undergraduate Seminar (LISHURS) is an annual event organized and hosted by the Department of Library and Information Services, Teaching and Learning Division, at the University of the Free State. The purpose of the seminar is to …