MolModSim Connect is a global, peer-reviewed, open-access journal dedicated to pioneering innovation at the forefront of molecular sciences through modeling and simulations. Published biannually in print and online, it serves as the central catalyst for cutting-edge research, driving material discoveries across diverse domains. The journal encompasses a broad range of topics within molecular modeling and simulation, including but not limited to:
- Molecular Dynamics Simulations: Novel techniques and methodologies for simulating the dynamic behavior of molecules and molecular systems.
- Protein Structure Prediction and Drug Design: Computational approaches for predicting protein structures, protein-ligand interactions, and rational drug design.
- Molecular Docking and Virtual Screening: Computational techniques for predicting the binding affinity and specificity of ligands to target proteins.
- Molecular Modeling in Material Science: Applications of molecular modeling and simulation techniques in the design and characterization of materials with tailored properties.
- Computational Chemistry Software and Tools: Development and validation of software packages, algorithms, and tools for molecular modeling and simulation.
- Molecular Visualization and Data Analysis: Visualization techniques and data analysis methods for interpreting molecular structures and simulation results.
MolModSim Connect welcomes original research articles, reviews, perspectives, and technical notes that contribute to the advancement of Molecular Modelling and Simulation. Our goal is to foster interdisciplinary collaboration and facilitate knowledge exchange among researchers from academia, industry, and other scientific domains.
