• TINKER

  • Referenced in 10 articles [sw04095]
  • OPLS-AA), Merck Molecular Force Field (MMFF), Liam Dang’s polarizable model ... AMOEBA (2004, 2009, 2013) polarizable atomic multipole force field. Parameter sets for other widely-used ... force fields are under consideration for future releases. The TINKER package contains a variety ... atomic multipole-based electrostatics with explicit dipole polarizability, various continuum solvation treatments including several generalized...
  • Maple

  • Referenced in 5199 articles [sw00545]
  • The result of over 30 years of cutting...
  • GAMESS

  • Referenced in 38 articles [sw03002]
  • GAMESS is a program for ab initio molecular...
  • APBS

  • Referenced in 88 articles [sw05766]
  • APBS is a software package for the numerical...
  • CHARMM

  • Referenced in 116 articles [sw05953]
  • CHARMM (Chemistry at HARvard Macromolecular Mechanics). CHARMM models...
  • GAUSSIAN

  • Referenced in 186 articles [sw06118]
  • Gaussian is an electronic structure program, used by...
  • ILUT

  • Referenced in 160 articles [sw08734]
  • ILUT: A dual threshold incomplete LU factorization. In...
  • sPuReMD

  • Referenced in 6 articles [sw12865]
  • Reactive molecular dynamics: numerical methods and algorithmic techniques...
  • PDB2PQR

  • Referenced in 33 articles [sw13087]
  • PDB2PQR: An automated pipeline for the setup of...
  • PuReMD

  • Referenced in 3 articles [sw18042]
  • PuReMD-GPU: A reactive molecular dynamics simulation package...
  • ADF

  • Referenced in 5 articles [sw19393]
  • ADF - Amsterdam Density Functional. Powerful DFT software for...
  • ReaxFF

  • Referenced in 19 articles [sw28391]
  • ReaxFF is a program for modeling chemical reactions...