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Molecular Modeling

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Molecular Modeling Courses and Certifications

Master computational chemistry techniques for drug discovery, protein analysis, and biomolecular simulations using ICM, molecular dynamics, and machine learning approaches. Access specialized tutorials on YouTube from leading research institutions, covering ligand docking, coarse-graining methods, and advanced sampling techniques for complex biological systems.

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Towards Molecular Understanding of MRI Contrast Agents and NMR Relaxivity Using Classical and Quantum Modeling

Discover how classical and quantum modeling reveal the molecular mechanisms behind MRI contrast agents and NMR relaxivity for enhanced medical imaging applications.
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- 47 minutes
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Valence Labs
Molecular Modeling of Complex Biological Systems

Explore molecular modeling techniques for complex biological systems, focusing on chromatin dynamics, DNA methylation effects, and histone tail modeling. Learn to predict system responses to modifications and mutations.
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Bogolyubov Institute for Theoretical Physics
Multiscale Molecular Modeling of DNA - Toward Simulating Its Naturally Confined Environment

Explore multiscale molecular modeling techniques for DNA simulation in naturally confined environments through advanced computational methods and theoretical physics approaches.
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Institute for Pure & Applied Mathematics (IPAM)
Molecular Level Modeling

Discover molecular-level modeling techniques for electrochemical systems, transitioning from deterministic to stochastic approaches in this advanced tutorial.
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Institute for Pure & Applied Mathematics (IPAM)
Molecular Level Modeling

Discover molecular-level modeling techniques for electrochemical systems, transitioning from deterministic to stochastic approaches in this advanced tutorial from IPAM.
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Institute for Pure & Applied Mathematics (IPAM)
More is Different - Non-Scalability of Approximation in Modeling Noncovalent Interaction
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Exploring the limitations of common approximations in modeling non-covalent interactions at the nanoscale, revealing complex scaling behaviors and the need for advanced quantum-mechanical methods.
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AVS - Science and Technology of Materials, Interfaces, and Processing
Design, Realization, and Applications of Gas and Ion Separation Materials

Explore nanoporous materials design for gas separations, from computational modeling to synthesis and applications in environmental and energy technologies.
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ATOMS UFRJ
Connecting Modeling, Simulations, and Machine Learning with Experiments for Soft Materials Design - Structure-Property Relationships

Explore molecular modeling, simulations, and machine learning for soft materials design. Connect computational methods with experiments to uncover structure-property relationships in polymers and colloids.
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MolSoft Molecules in Silico
Chemical Torsion Analysis in ICM-Pro Desktop Modeling Software

Explore chemical torsion analysis techniques in ICM-Pro Desktop Modeling Software, including GCNN-STP and GINGER conformer generator methods.
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MolSoft Molecules in Silico
An Introduction to the ICM-Pro Graphical User Interface

Explore the ICM-Pro Desktop Modeling Software interface, learning to manipulate molecular structures, create selections, display surfaces, work with electron density, and use homology modeling to fill protein chain gaps.
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MolSoft Molecules in Silico
Ligand Docking in ICM: Small Molecules, Fragments, Covalent and Template-Based Methods

Master ligand docking techniques in ICM-Pro, from pocket identification to covalent docking, enhancing your molecular modeling skills for drug discovery and design.
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MolSoft Molecules in Silico
ICM 3D Ligand Editor - Ligand Docking, Editing and Optimization

Explore ICM 3D Ligand Editor for advanced ligand docking, editing, and optimization techniques in molecular modeling and drug discovery.
- YouTube
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MolSoft Molecules in Silico
Highlights of Recent ICM Developments: GPU Acceleration, Applications, and More

Explore recent ICM developments, including GPU acceleration and applications. Discover advancements in molecular modeling, docking, and AI tools for computational chemistry.
- YouTube
- 25 minutes
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MolSoft Molecules in Silico
Chemically Probing the Mechanism of KATP Channels

Explore the mechanism of KATP channels through chemical probing, focusing on structure, gating, and the role of palmitoylation in channel opening.
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MolSoft Molecules in Silico
New Technologies in MolSoft ICM: Neural Networks and Beyond

Explore cutting-edge neural networks and advanced technologies in molecular modeling with MolSoft ICM, enhancing your computational chemistry capabilities.
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