Structuring of 2‐oleodipalmitin at the air interface from all‐atom, united‐atom, and coarse‐grained molecular dynamics simulations

Molecular Origins of Polymorphism in Cocoa Butter

(2021) Saeed M. Ghazani et al.   Annual Review of Food Science and Technology

Molecular dynamics simulation for mechanism revelation of the safety and nutrition of lipids and derivatives in food: state of the art

(2021) Binbin Nian et al.   FOOD RESEARCH INTERNATIONAL

Interfacial Ordering of Tristearin Induced by Glycerol Monooleate and PGPR: A Coarse-Grained Molecular Dynamics Study

(2019) Nicole L. Green et al.   COLLOIDS AND SURFACES B-BIOINTERFACES

Effects of solid fat content in fat particles on their adsorption at the air–water interface

(2018) Tomohito Hanazawa et al.   FOOD HYDROCOLLOIDS

Understanding the interactions between sebum triglycerides and water: a molecular dynamics simulation study

(2018) Anna Sofia Tascini et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Molecular Insights into the Eutectic Tripalmitin/Tristearin Binary System

(2018) Antonio Pizzirusso et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Molecular Dynamics Simulation for Mechanism Elucidation of Food Processing and Safety: State of the Art

(2018) Gang Chen et al.   COMPREHENSIVE REVIEWS IN FOOD SCIENCE AND FOOD SAFETY

Interactions between phospholipid head groups and a sucrose crystal surface at the cocoa butter interface

(2015) M Kindlein et al.   JOURNAL OF PHYSICS D-APPLIED PHYSICS

Coarse-grained modelling of triglyceride crystallisation: a molecular insight into tripalmitin tristearin binary mixtures by molecular dynamics simulations

(2015) Antonio Pizzirusso et al.   JOURNAL OF PHYSICS D-APPLIED PHYSICS

Organization of Lipids in the Tear Film: A Molecular-Level View

(2014) Alicja Wizert et al.   PLoS One

Coarse-Graining Methods for Computational Biology

(2013) Marissa G. Saunders et al.   Annual Review of Biophysics

Perspective on the Martini model

(2013) Siewert J. Marrink et al.   CHEMICAL SOCIETY REVIEWS

Modeling complex and multi-component food systems in molecular dynamics simulations on the example of chocolate conching

(2013) Maximilian Greiner et al.   Food & Function

A multiscale approach to triglycerides simulations: from atomistic to coarse-grained models and back

(2012) Antonio Brasiello et al.   FARADAY DISCUSSIONS

Development of a coarse-grained model for simulations of tridecanoin liquid–solid phase transitions

(2011) Antonio Brasiello et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

The implementation of a fast and accurate QM/MM potential method in Amber

(2007) Ross C. Walker et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY