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Everything about MacroModel

Computer program

MacroModel is a computer program for molecular modelling of organic compounds and biopolymers. It features various chemistry force fields, plus energy minimizing algorithms, to predict geometry and relative conformational energies of molecules. MacroModel is maintained by Schrödinger, LLC. Wikipedia →

🧭 Start here: a 6-step reading path

  1. Read the overview: MacroModelA 5-minute orientation
  2. Skim a recent paper: DNN-MLVEM: A Data-Driven Macromodel for RC Shear Walls Based on Deep Neural NetworksInfluential work since 2022
  3. Pick up a classic book: Passive MacromodelingThe most-reprinted book on the subject
  4. Read the landmark paper: Macromodel—an integrated software system for modeling organic and bioorganic molecules using molecular mechanicsCited 3,529 times
  5. Go sideways: W. Clark StillA closely related topic
  6. Go sideways: MDynaMixA closely related topic

📖 Definitions

Noun A macroscale model.

Verb To model on a large scale.

🗂️ The subject at a glance

  1. Key features
  2. Known version history

🏆 Landmark papers (most cited)

🆕 Influential since 2022

📚 Books worth reading

Ranked by number of editions on Open Library, a rough measure of how lasting a book is.

🔗 Related topics