Químico Farmacéutico
This is a 5 minutes introduction to molecular dynamics simulation. Tools to generate initial state for your system: – LAMMPS lattice command: This command creates a 2D or 3D lattice. It supports a number of lattice types.
Paul Labute and Martin SantavyChemical Computing Group Inc.Introduction | Methodology | Results | Summary | References Introduction Active sites in […]
http://www.charmm-gui.org/?doc=input/ligandrm Primero debemos cerciorarnos que el ligando corresponde, y no forma anillos anexos como es el caso, de AS4 dentro […]
Farmacoforos, y residuos con mayor participación . obtencion del mapa de interaccion
