English

MOLS 2.0: Software Package for Peptide Modelling and Protein-Ligand Docking

Biological Physics 2016-09-27 v1 Biomolecules
Authors: D. Sam Paul , N. Gautham
View on arXiv ↗ PDF ↗ DOI ↗

Abstract

Here we give a detailed description of MOLS 2.0.The source code and binary of MOLS 2.0 are distributed free (under GNU Lesser General Public License) for the scientific community. They are freely available for download at https://sourceforge.net/projects/mols2-0/files/.

Cite

@article{arxiv.1609.07668,
  title  = {MOLS 2.0: Software Package for Peptide Modelling and Protein-Ligand Docking},
  author = {D. Sam Paul and N. Gautham},
  journal= {arXiv preprint arXiv:1609.07668},
  year   = {2016}
}

Related papers

View all related →
Biological Physics · Physics
Protein - Small Molecule docking with receptor flexibility in iMOLSDOCK
D. Sam Paul, N. Gautham
2020-10-13
High Energy Astrophysical Phenomena · Physics
PICsar2D: Public Release
Mikhail A. Belyaev
2017-07-07
Soft Condensed Matter · Physics
ESPResSo++ 2.0: Advanced methods for multiscale molecular simulation
Horacio V. Guzman, Nikita Tretyakov, Hideki Kobayashi, Aoife C. Fogarty +5
2019-03-27
Strongly Correlated Electrons · Physics
The ALPS project release 2.0: Open source software for strongly correlated systems
B. Bauer, L. D. Carr, H. G. Evertz, A. Feiguin +28
2015-03-17
Computational Physics · Physics
PLUMED 2: New feathers for an old bird
Gareth A. Tribello, Massimiliano Bonomi, Davide Branduardi, Carlo Camilloni +1
2014-10-07
Computational Physics · Physics
XMDS2: Fast, scalable simulation of coupled stochastic partial differential equations
Graham R. Dennis, Joseph J. Hope, Mattias T. Johnsson
2012-11-22
Quantitative Methods · Quantitative Biology
PepSIRF + QIIME 2: software tools for automated, reproducible analysis of highly-multiplexed serology data
Annabelle M. Brown, Evan Bolyen, Isaiah Raspet, John A. Altin +1
2022-07-26
Computational Physics · Physics
A Set of Tutorials for the LAMMPS Simulation Package
Simon Gravelle, Cecilia M. S. Alvares, Jacob R. Gissinger, Axel Kohlmeyer
2025-10-03
Computational Engineering, Finance, and Science · Computer Science
ms2: A molecular simulation tool for thermodynamic properties, new version release
Colin W. Glass, Steffen Reiser, Gábor Rutkai, Stephan Deublein +8
2015-08-06
Machine Learning · Computer Science
LIBS2ML: A Library for Scalable Second Order Machine Learning Algorithms
Vinod Kumar Chauhan, Anuj Sharma, Kalpana Dahiya
2021-11-16
Instrumentation and Methods for Astrophysics · Physics
ShapePipe: A modular weak-lensing processing and analysis pipeline
S. Farrens, A. Guinot, M. Kilbinger, T. Liaudat +7
2022-08-24
Quantitative Methods · Quantitative Biology
Deuteros 2.0: Peptide-level significance testing of data from hydrogen deuterium exchange mass spectrometry
Andy M. Lau, Jurgen Claesen, Kjetil Hansen, Argyris Politis
2020-05-19
Mathematical Software · Computer Science
mlpy: Machine Learning Python
Davide Albanese, Roberto Visintainer, Stefano Merler, Samantha Riccadonna +2
2012-03-02
Biomolecules · Quantitative Biology
Software package for simulations using the coarse-grained CALVADOS model
Sören von Bülow, Ikki Yasuda, Fan Cao, Thea K. Schulze +5
2025-04-15
Other Computer Science · Computer Science
A Tutorial for Creating and Publishing Open Source Lisp Software
Robert Smith
2012-09-26
Genomics · Quantitative Biology
Peptipedia: a comprehensive database for peptide research supported by Assembled predictive models and Data Mining approaches
Cristofer Quiroz, Yasna Barrera Saavedra, Benjamín Armijo-Galdames, Juan Amado-Hinojosa +3
2021-02-01
Computational Physics · Physics
Updated Core Libraries of the ALPS Project
A. Gaenko, A. E. Antipov, G. Carcassi, T. Chen +15
2017-02-02
Instrumentation and Methods for Astrophysics · Physics
Forward Modeling of Large-Scale Structure: An open-source approach with Halotools
Andrew Hearin, Duncan Campbell, Erik Tollerud, Peter Behroozi +10
2017-10-25
Computational Engineering, Finance, and Science · Computer Science
ARES OS 2.0: An Orchestration Software Suite for Autonomous Experimentation Systems and Self-Driving Labs
Arthur W. N. Sloan, Robert W. Waelder, Morgen L. Smith, Nicholas Kleiner +4
2026-04-07
Computational Physics · Physics
DL_MONTE: A multipurpose code for Monte Carlo simulation
Andrey V. Brukhno, James Grant, Tom L. Underwood, Kevin Stratford +3
2018-03-02
Biomolecules · Quantitative Biology
CABS-flex 2.0: a web server for fast simulations of flexibility of protein structures
Aleksander Kuriata, Aleksandra Maria Gierut, Tymoteusz Oleniecki, Maciej Pawel Ciemny +3
2018-05-17
Biomolecules · Quantitative Biology
p2smi: A Python Toolkit for Peptide FASTA-to-SMILES Conversion and Molecular Property Analysis
Aaron L. Feller, Claus O. Wilke
2025-05-05
Strongly Correlated Electrons · Physics
The ALPS project: open source software for strongly correlated systems
F. Alet, P. Dayal, A. Grzesik, A. Honecker +14
2019-08-14
Machine Learning · Computer Science
Pocket2Mol: Efficient Molecular Sampling Based on 3D Protein Pockets
Xingang Peng, Shitong Luo, Jiaqi Guan, Qi Xie +2
2025-07-14
Cosmology and Nongalactic Astrophysics · Physics
Mocking the Weak Lensing universe: the LensTools python computing package
Andrea Petri
2016-11-18
R2 v1 2026-06-22T16:00:12.379Z