Ecosyste.ms: Papers

An open API service providing mapping between scientific papers and software projects that are mentioned in them.
All mentions data is based on the CZI Software Mentions dataset.

Projects: pypi: openbabel

https://packages.ecosyste.ms/registries/pypi.org/packages/openbabel

Python interface to the Open Babel chemistry library
11 versions
Latest release: over 4 years ago
17 dependent packages
2,703 downloads last month

Papers Mentioning openbabel 20

10.1186/1758-2946-4-24

mol2chemfig, a tool for rendering chemical structures from molfile or SMILES format to LATE X code
Cited by: 5
Author(s): Eric K Brefo-Mensah, Michãel Palmer
Software Mentions: 4
Published: about 12 years ago

10.1186/1752-153X-2-5

Pybel: a Python wrapper for the OpenBabel cheminformatics toolkit
Cited by: 297
Author(s): Noel M. O’Boyle, Chris Morley, Geoffrey Hutchison
Software Mentions: 4
Published: almost 17 years ago

10.3390/ijms21207648

Performance of Force-Field- and Machine Learning-Based Scoring Functions in Ranking MAO-B Protein–Inhibitor Complexes in Relevance to Developing Parkinson’s Therapeutics
Cited by: 8
Author(s): Natarajan Arul Murugan, Charuvaka Muvva, Chitra Jeyarajpandian, Jeyaraman Jeyakanthan, V. Subramanian
Software Mentions: 4
Published: about 4 years ago

10.1371/journal.pone.0092257

Esterase LpEst1 from Lactobacillus plantarum: A Novel and Atypical Member of the αβ Hydrolase Superfamily of Enzymes
Cited by: 23
Author(s): Y. Álvarez, María Esteban-Torres, Álvaro Cortés-Cabrera, Federico Gago, I. Acebrón, R. Benavente, Karin Mardo, Blanca de las Rivas, Rosario Múñoz, José M. Mancheño
Software Mentions: 4
Published: over 10 years ago

10.1186/s13321-021-00547-7

PUResNet: prediction of protein-ligand binding sites using deep residual neural network
Cited by: 40
Author(s): Jeevan Kandel, Hilal Tayara, Kil To Chong
Software Mentions: 3
Published: over 3 years ago

10.7554/eLife.65543

NICEdrug.ch, a workflow for rational drug design and systems-level analysis of drug metabolism
Cited by: 7
Author(s): Homa MohammadiPeyhani, Anush Chiappino-Pepe, Kiandokht Haddadi, Jasmin Hafner, Noushin Hadadi, Vassily Hatzimanikatis
Software Mentions: 3
Published: over 3 years ago

10.3390/molecules26144323

Search for Novel Lead Inhibitors of Yeast Cytochrome bc1, from Drugbank and COCONUT
Cited by: 1
Author(s): Ozren Jović, Tomislav Šmuc
Software Mentions: 3
Published: over 3 years ago

10.3390/pharmaceutics13040554

Artocarpin Targets Focal Adhesion Kinase-Dependent Epithelial to Mesenchymal Transition and Suppresses Migratory-Associated Integrins in Lung Cancer Cells
Cited by: 10
Author(s): Nongyao Nonpanya, Kittipong Sanookpan, Nicharat Sriratanasak, Chanida Vinayanuwattikun, Duangdao Wichadakul, Boonchoo Sritularak, Pithi Chanvorachote
Software Mentions: 3
Published: over 3 years ago

10.1371/journal.pone.0254929

Norcycloartocarpin targets Akt and suppresses Akt-dependent survival and epithelial-mesenchymal transition in lung cancer cells
Cited by: 4
Author(s): Nongyao Nonpanya, Kittipong Sanookpan, Keerati Joyjamras, Duangdao Wichadakul, Boonchoo Sritularak, Chatchai Chaotham, Pithi Chanvorachote
Software Mentions: 2
Published: over 3 years ago

10.3390/ijms22041573

Predicting Potential SARS-COV-2 Drugs—In Depth Drug Database Screening Using Deep Neural Network Framework SSnet, Classical Virtual Screening and Docking
Cited by: 23
Author(s): Nischal Karki, Niraj Verma, Francesco Trozzi, Peng Tao, Elfi Kraka, Brian D. Zoltowski
Software Mentions: 2
Published: almost 4 years ago

10.1007/s10822-017-0042-5

Molden 2.0: quantum chemistry meets proteins
Cited by: 98
Author(s): Gijs Schaftenaar, Elias Vlieg, Gert Vriend
Software Mentions: 2
Published: over 7 years ago

10.3389/fmicb.2018.02551

Prediction of Antimicrobial Potential of a Chemically Modified Peptide From Its Tertiary Structure
Cited by: 36
Author(s): Piyush Agrawal, Gajendra P. S. Raghava
Software Mentions: 1
Published: about 6 years ago

10.6026/97320630013301

Prediction aided in vitro analysis of octadecanoic acid from Cyanobacterium Lyngbya sp. as a proapoptotic factor in eliciting anti-inflammatory properties
Cited by: 8
Author(s): Paramasivan Manivannan, Gangatharan Muralitharan, Nainangu Prasanna Balaji
Software Mentions: 1
Published: about 7 years ago

10.1038/s41420-019-0187-1

Phosphatidic acid homeostasis regulated by a type-2 phosphatidic acid phosphatase represents a novel druggable target in malaria intervention
Cited by: 11
Author(s): Raj Kumar Sah, Swati Garg, Poonam Dangi, Kalaiarasan Ponnusamy, Shailja Singh
Software Mentions: 1
Published: over 5 years ago

10.1039/d0sc02159h

Identification of a nanomolar affinity α-synuclein fibril imaging probe by ultra-high throughput in silico screening
Cited by: 29
Author(s): John J. Ferrie, Zsofia Lengyel‐Zhand, Bieneke Janssen, Marshall G. Lougee, Sam Giannakoulias, Chia-Ju Hsieh, Vinayak Vishnu Pagar, Chi Chang Weng, Hong Xu, Thomas J. A. Graham, Virginia M.‐Y. Lee, Robert H. Mach, E. James Petersson
Software Mentions: 1
Published: almost 5 years ago

10.3389/fmicb.2018.00725

Prediction of Cell-Penetrating Potential of Modified Peptides Containing Natural and Chemically Modified Residues
Cited by: 48
Author(s): Vinod Kumar, Piyush Agrawal, Rajesh Kumar, Sherry Bhalla, Salman Sadullah Usmani, Grish C. Varshney, Gajendra P. S. Raghava
Software Mentions: 1
Published: over 6 years ago

10.1186/s12918-017-0498-x

A computational study of the inhibition mechanisms of P-glycoprotein mediated paclitaxel efflux by kinase inhibitors
Cited by: 9
Author(s): Joe Bender, Jianwen Fang, Richard Simon
Software Mentions: 1
Published: about 7 years ago

10.1080/14756366.2017.1368503

α-Glucosidase inhibition by flavonoids: an in vitro and in silico structure–activity relationship study
Cited by: 252
Author(s): Carina Proença, Marisa Freitas, Daniela Ribeiro, Eduardo F. Oliveira, Joana L. C. Sousa, Sara M. Tomé, María J. Ramos, Artur M. S. Silva, Pedro Alexandrino Fernandes, Eduarda Fernandes
Software Mentions: 1
Published: almost 8 years ago

10.1080/14756366.2018.1558221

Evaluation of a flavonoids library for inhibition of pancreatic α-amylase towards a structure–activity relationship
Cited by: 89
Author(s): Carina Proença, Marisa Freitas, Daniela Ribeiro, Sara M. Tomé, Eduardo F. Oliveira, Matilde F. Viegas, Alberto N. Araújo, María J. Ramos, Artur M. S. Silva, Pedro Alexandrino Fernandes, Eduarda Fernandes
Software Mentions: 1
Published: almost 6 years ago

10.1038/s41598-020-75762-7

Searching for target-specific and multi-targeting organics for Covid-19 in the Drugbank database with a double scoring approach
Cited by: 43
Author(s): N. Murugan, Sanjiv Kumar, Jeyaraman Jeyakanthan, Vaibhav Srivastava
Software Mentions: 1
Published: about 4 years ago