Topic: ambertools Goto Github
Some thing interesting about ambertools
Some thing interesting about ambertools
ambertools,OFFICIAL: AnteChamber PYthon Parser interfacE
User: alanwilter
Home Page: https://alanwilter.github.io/acpype/
ambertools,Python interface of cpptraj
Organization: amber-md
Home Page: https://amber-md.github.io/pytraj
ambertools,Python utility script to perform energy minimisation on a small molecule PDB file using AmberTools
User: aretasg
ambertools,Exploring the conformational ensembles of protein-protein complexes with transformer-based generative neural networks
User: aspirincode
ambertools,A collection of scripts written for use with different computational biology/chemistry packages throughout my PhD.
User: crfield18
ambertools,Repository for AmberTools Mission framework type in Galileo.
Organization: gohypernet
Home Page: https://hypernetlabs.io/galileo/
ambertools,When calculating the protein-ligand complex system, it is necessary to add an appropriate force field to the ligand. One effective method is to use the CGenFF service, but it was found that this function does not support the alkyne/alkene structure, so a script was written to use GAFF to process small molecules.
User: kol0760
ambertools,AM1 specific reaction parameters for DHFR catalyzed reaction in sqm (AmberTools18)
User: kzinovjev
ambertools,Collections of files and tools for weighted ensemble simulations of full-length APOBEC3B
User: mackevinbraza
ambertools,This my personal website
User: mhriitm
Home Page: https://mhriitm.github.io
ambertools,
User: suleymanselim
ambertools,gmx_MMPBSA is a new tool based on AMBER's MMPBSA.py aiming to perform end-state free energy calculations with GROMACS files.
User: valdes-tresanco-ms
Home Page: https://valdes-tresanco-ms.github.io/gmx_MMPBSA/
ambertools,xBFreE is a powerful and versatile tool for computing the Binding Free Energies using a variety of methods across popular Molecular Dynamics programs
Organization: xbfreenergy
ambertools,
Organization: xbfreenergy
Home Page: https://xbfreenergy.github.io/
ambertools,Amber docker images for molecular dynamics
User: yylonly
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