TY  - JOUR
AU  - Ribeiro, Rui P
AU  - Giorgetti, A.
TI  - pyGOMoDo: GPCRs modeling and docking with python
JO  - Bioinformatics
VL  - 39
IS  - 5
SN  - 0266-7061
CY  - Oxford
PB  - Oxford Univ. Press
M1  - FZJ-2024-02218
SP  - btad294
PY  - 2023
AB  - Motivation: We present pyGOMoDo, a Python library to perform homology modeling and docking, specifically designed for human GPCRs.pyGOMoDo is a python wrap-up of the updated functionalities of GOMoDo web server (https://molsim.sci.univr.it/gomodo). It was developedhaving in mind its usage through Jupyter notebooks, where users can create their own protocols of modeling and docking of GPCRs. In this article, we focus on the internal structure and general capabilities of pyGOMoDO and on how it can be useful for carrying out structural biology studies of GPCRs.Results: The source code is freely available at https://github.com/rribeiro-sci/pygomodo under the Apache 2.0 license. Tutorial notebooks containing minimal working examples can be found at https://github.com/rribeiro-sci/pygomodo/tree/main/examples.
LB  - PUB:(DE-HGF)16
C6  - 37137232
UR  - <Go to ISI:>//WOS:000988604300005
DO  - DOI:10.1093/bioinformatics/btad294
UR  - https://juser.fz-juelich.de/record/1024531
ER  -