Molecular Modelling and Dynamics
Molecular modeling involves hypothetical and computational procedures used to mimic the behavior of macromolecules. These techniques are applied in various fields such as drug design, computational chemistry, materials science, and computational biology. They help in studying and understanding the structural and functional properties of molecules. One of the major applications of molecular modeling is molecular simulation, which uses powerful computers to simulate interactions between atoms and explore the properties of materials. Such simulations range from highly detailed quantum mechanical calculations at the atomic level to coarse-grained classical dynamics of large molecular systems over timescales of milliseconds or longer.
Molecular dynamics (MD) specifically focuses on studying the physical movements of atoms and molecules using simulation techniques, and is classified as a type of N-body simulation. Atoms and molecules are allowed to interact over a fixed time period, providing insight into the dynamic evolution of the system. Their trajectories are typically determined by numerically solving Newton’s equations of motion for groups of interacting particles. The forces and potential energies are calculated using interatomic potentials or molecular mechanics force fields. An extension of this method, Steered Molecular Dynamics (SMD), allows researchers to apply external forces to simulate mechanical unfolding or molecular recognition processes in a more targeted manner.
Related Conference of Molecular Modelling and Dynamics
17th International Conference on Tissue Science and Regenerative Medicine
Molecular Modelling and Dynamics Conference Speakers
Recommended Sessions
- 3D Structure Determination
- Advanced Techniques in Structural Biology
- AI & Computational Structural Biology
- Biochemistry and Biophysics
- Computational Approach in Structural Biology
- Drug Designing and Biomarkers
- Hybrid Approaches for Structure Prediction
- Membrane Proteins and Receptors
- Molecular Modelling and Dynamics
- Proteomics and Genomics
- Structural Bioinformatics and Computational Biology
- Structural Biology in Cancer Research
- Structural Virology
- Structural Virology and Infectious Diseases
- Structure-Based Drug Discovery
- Structure-Based Solutions to Global Health Challenges
- Structure-Function Relationships
- The Structural Basis of Disease
Related Journals
Are you interested in
- 3-D Structure Determination - Structural Biology 2025 (Germany)
- 3D Structure Determination - Structural Biology-2025 (France)
- Advanced Techniques in Structural Biology - Structural Biology-2025 (France)
- Advancements in structural Biology - Structural Biology 2025 (Germany)
- AI & Computational Structural Biology - Structural Biology-2025 (France)
- Biochemistry and Biophysics - Structural Biology-2025 (France)
- Biochemistry and Biophysics - Structural Biology 2025 (Germany)
- Computational Approach in Structural Biology - Structural Biology-2025 (France)
- Computational Approach in Structural Biology - Structural Biology 2025 (Germany)
- Drug Designing and Biomarkers - Structural Biology-2025 (France)
- Drug Designing and Biomarkers - Structural Biology 2025 (Germany)
- Frontiers in Structural Biology - Structural Biology 2025 (Germany)
- Gene Regulation and Cell Signaling - Structural Biology 2025 (Germany)
- Hybrid Approaches for Structure Prediction - Structural Biology-2025 (France)
- Hybrid Approaches in Structure Prediction - Structural Biology 2025 (Germany)
- Membrane Proteins and Receptors - Structural Biology-2025 (France)
- Molecular Biology - Structural Biology 2025 (Germany)
- Molecular Biology Techniques - Structural Biology 2025 (Germany)
- Molecular Modelling and Dynamics - Structural Biology-2025 (France)
- Molecular Modelling and Dynamics - Structural Biology 2025 (Germany)
- Proteomics and Genomics - Structural Biology 2025 (Germany)
- Proteomics and Genomics - Structural Biology-2025 (France)
- Sequencing Analysis - Structural Biology 2025 (Germany)
- Structural Bioinformatics - Structural Biology 2025 (Germany)
- Structural Bioinformatics and Computational Biology - Structural Biology-2025 (France)
- Structural Biology - Structural Biology 2025 (Germany)
- Structural Biology Databases - Structural Biology 2025 (Germany)
- Structural Biology in Cancer Research - Structural Biology-2025 (France)
- Structural Biology in Cancer Research - Structural Biology 2025 (Germany)
- Structural Enzymology - Structural Biology 2025 (Germany)
- Structural Virology - Structural Biology-2025 (France)
- Structural Virology and Infectious Diseases - Structural Biology-2025 (France)
- Structure-Based Drug Discovery - Structural Biology-2025 (France)
- Structure-Based Solutions to Global Health Challenges - Structural Biology-2025 (France)
- Structure-Function Relationships - Structural Biology-2025 (France)
- The Structural Basis of Disease - Structural Biology-2025 (France)