8/31/2023 0 Comments Glide docking software freeOpen source ( GNU LGPL) (formerly commercial, academic)Īutomated docking of fragments with evaluation of free energy of binding including electrostatic solvation effects in the continuum dielectric approximation ( generalized Born) HTVS of small molecules against proteins and nucleic acids, binding mode prediction Monte Carlo perturbation with energy minimization in Cartesian space Molecular docking with population-based metaheuristicsĪll-atom energy based Monte Carlo, rigid protein ligand docking Martin Luther University of Halle-Wittenberg and Partner Institute for Computational Biology Protein-ligand docking tool using mutually orthogonal Latin squares algorithm Rapid flexible docking using a stochastic rotamer library of ligands.ĭocking application within MOE choice of placement methods (including alpha sphere methods) and scoring functions (including London dG) Protein-protein, protein-DNA, protein-peptide docking using different scoring functions, backbone flexibility modeled by ANM and written in Python3 and Rust_(programming_language) Program for fast and accurate flexible docking of small molecules into a protein Target side-chain flexibility and soft scoring function, based on surface complementarity ▼ ProgramĪutomated docking of ligand to macromolecule by Lamarckian Genetic Algorithm and Empirical Free Energy Scoring Function Table info: Program, Year Published, Organisation, Descri.
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