Skip to content
View mlawrenz's full-sized avatar
  • Stanford University

Block or report mlawrenz

Block user

Prevent this user from interacting with your repositories and sending you notifications. Learn more about blocking users.

You must be logged in to block users.

Please don't include any personal information such as legal names or email addresses. Maximum 100 characters, markdown supported. This note will be visible to only you.
Report abuse

Contact GitHub support about this user’s behavior. Learn more about reporting abuse.

Report abuse

Popular repositories Loading

  1. PythonMMGBSA PythonMMGBSA Public

    Program for running end point free energy calculations on protein-ligand complexes using AMBER and its associated MMPBSA.py program. Requires only a protein and ligand structure as input.

    Python 6 3

  2. LigandPMF3D LigandPMF3D Public

    python program for creating 3d PMFs and computing binding free energies from protein-ligand binding simulations.

    Python 4

  3. AnalyzeMD AnalyzeMD Public

    Set of tools for analyzing MD simulations with AmberTools, including conversion of desmond trajectories.

    Python 3

  4. cluster-ligands cluster-ligands Public

    Python 1

  5. pseudodihedral pseudodihedral Public

    example code to compute pseudo dihedrals for groups of atoms in a simulation

  6. docking-scripts docking-scripts Public

    python scripts for processing surflex docking output

    Python 1