Coursera Flash Sale
40% Off Coursera Plus for 3 Months!
Grab it
Learn protein modeling techniques using Wolfram Language in this 59-minute conference talk that explores the latest biomolecule capabilities and computational methods. Discover how to import protein structures from PDB databases, perform sequence folding with ESMAtlas, and create sophisticated molecular visualizations. Master direct editing of BioMolecule representations to support advanced computations including protein-ligand binding energy calculations, molecular dynamics simulations, and accurate property determinations. Explore essential protein preparation techniques such as adding experimentally unobserved hydrogen atoms, adjusting amino acid residue protonation states for different pH conditions (acidic, neutral, and basic), and performing 3D point mutations of specific residues. Examine practical examples and prototype code implementations that demonstrate these molecular modeling workflows, building upon previous work that utilized Molecule representations to achieve accurate binding energy computations through proper biomolecule editing procedures.
