Computational Applications in Secondary Metabolite Discovery (CAiSMD): an online workshop (Q108443430)

7 September 2021

Yannick Djoumbou Feunang

object named as

Yannick Djoumbou-Feunang

7

1 reference

7 September 2021

Maria Sorokina

8

1 reference

7 September 2021

Conrad Stork

9

1 reference

7 September 2021

Neann Mathai

10

1 reference

7 September 2021

Miquel Duran-Frigola

13

1 reference

7 September 2021

Thommas M. Musyoka

25

1 reference

7 September 2021

Vaishali M. Patil

26

1 reference

7 September 2021

Justin J J van der Hooft

object named as

Justin J. J. van der Hooft

27

1 reference

7 September 2021

Vanderlan da Silva Bolzani

28

1 reference

7 September 2021

José L. Medina-Franco

object named as

José L. Medina-Franco

29

1 reference

7 September 2021

Johannes Kirchmair

30

1 reference

7 September 2021

Tilmann Weber

31

1 reference

7 September 2021

Özlem Tastan Bishop

32

1 reference

7 September 2021

Marnix H. Medema

33

1 reference

7 September 2021

Ludger A. Wessjohann

34

1 reference

7 September 2021

Jutta Ludwig-Müller

35

1 reference

7 September 2021

3

Serge A. T. Fobofou

1 reference

7 September 2021

4

Victor Chukwudi Osamor

1 reference

7 September 2021

Mustafa A. Isa

22

0 references

Paul Zierep

11

1 reference

7 September 2021

Ana L. Chávez-Hernández

12

1 reference

7 September 2021

Smith B. Babiaka

0000-0002-4476-5860

14

1 reference

7 September 2021

Romuald Tematio Fouedjou

0000-0002-6346-086X

15

1 reference

7 September 2021

Donatus B. Eni

0000-0002-4148-6372

16

1 reference

7 September 2021

Simeon Akame

0000-0002-3400-8874

17

1 reference

7 September 2021

Augustine B. Arreyetta-Bawak

0000-0002-7598-8389

18

1 reference

7 September 2021

Oyere T. Ebob

0000-0002-2373-1354

19

1 reference

7 September 2021

Jonathan A. Metuge

20

1 reference

7 September 2021

Boris D. Bekono

0000-0003-1077-4176

21

1 reference

7 September 2021

Raphael Onuku

0000-0003-2564-2109

23

1 reference

7 September 2021

Daniel M. Shadrack

0000-0003-4372-7421

24

1 reference

Journal of Cheminformatics

7 September 2021

language of work or name

1 reference

7 September 2021

6 September 2021

1 reference

7 September 2021

1 reference

7 September 2021

13

1 reference

7 September 2021

1

1 reference

7 September 2021

COCONUT online: Collection of Open Natural Products database

1 reference

https://opencitations.net/index/coci/api/v1/citations/10.1186/S13321-020-00478-9

Feature-based molecular networking in the GNPS analysis environment

30 November 2021

1 reference

30 November 2021

https://opencitations.net/index/coci/api/v1/citations/10.1038/S41592-020-0933-6

SANCDB: a South African natural compound database

1 reference

https://opencitations.net/index/coci/api/v1/citations/10.1186/S13321-015-0080-8

Too sweet: cheminformatics for deglycosylation in natural products

2 January 2022

2 references

https://opencitations.net/index/coci/api/v1/citations/10.1186/S13321-020-00467-Y

3 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-021-00546-8

Review on natural products databases: where to find data in 2020

3 January 2022

2 references

https://opencitations.net/index/coci/api/v1/citations/10.1186/S13321-020-00424-9

3 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-021-00546-8

SANCDB: an update on South African natural compounds and their readily available analogs

3 January 2022

2 references

https://opencitations.net/index/coci/api/v1/citations/10.1186/S13321-021-00514-2

3 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-021-00546-8

NANPDB: A Resource for Natural Products from Northern African Sources

3 January 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-021-00546-8

Reproducible molecular networking of untargeted mass spectrometry data using GNPS

3 January 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-021-00546-8

SeMPI 2.0-A Web Server for PKS and NRPS Predictions Combined with Metabolite Screening in Natural Product Databases

3 January 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-021-00546-8

antiSMASH 5.0: updates to the secondary metabolite genome mining pipeline

3 January 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-021-00546-8

MoleculeNet: a benchmark for molecular machine learning.

3 January 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-021-00546-8

Impact of early pandemic stage mutations on molecular dynamics of SARS-CoV-2 Mpro

3 January 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-021-00546-8

FAME 3: Predicting the Sites of Metabolism in Synthetic Compounds and Natural Products for Phase 1 and Phase 2 Metabolic Enzymes

3 January 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-021-00546-8

Highly sensitive feature detection for high resolution LC/MS

3 January 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-021-00546-8

Fragment Library of Natural Products and Compound Databases for Drug Discovery

3 January 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-021-00546-8

XCMS: processing mass spectrometry data for metabolite profiling using nonlinear peak alignment, matching, and identification

3 January 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-021-00546-8

NuBBEDB: an updated database to uncover chemical and biological information from Brazilian biodiversity

3 January 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-021-00546-8

BioTransformer: a comprehensive computational tool for small molecule metabolism prediction and metabolite identification

3 January 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-021-00546-8

NaPLeS: a natural products likeness scorer-web application and database

3 January 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-021-00546-8

The re-emergence of natural products for drug discovery in the genomics era.

3 January 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-021-00546-8

Discorhabdin N, a South African Natural Compound, for Hsp72 and Hsc70 Allosteric Modulation: Combined Study of Molecular Modeling and Dynamic Residue Network Analysis

3 January 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-021-00546-8

NP-Scout: Machine Learning Approach for the Quantification and Visualization of the Natural Product-Likeness of Small Molecules

3 January 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-021-00546-8

Automatic Compound Annotation from Mass Spectrometry Data Using MAGMa

3 January 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-021-00546-8

The antiSMASH database version 3: increased taxonomic coverage and new query features for modular enzymes

3 January 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-021-00546-8

GLORY: Generator of the Structures of Likely Cytochrome P450 Metabolites Based on Predicted Sites of Metabolism

3 January 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-021-00546-8

GLORYx: Prediction of the Metabolites Resulting from Phase 1 and Phase 2 Biotransformations of Xenobiotics

3 January 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-021-00546-8

The Galaxy platform for accessible, reproducible and collaborative biomedical analyses: 2020 update

3 January 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-021-00546-8

Microbial natural product databases: moving forward in the multi-omics era

3 January 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-021-00546-8

Pharmacoinformatic investigation of medicinal plants from East Africa

3 January 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-021-00546-8

Evaluation of plant sources for antiinfective lead compound discovery by correlating phylogenetic, spatial, and bioactivity data

3 January 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-021-00546-8

The secondary metabolite bioinformatics portal: Computational tools to facilitate synthetic biology of secondary metabolite production.

3 January 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-021-00546-8

plantiSMASH: automated identification, annotation and expression analysis of plant biosynthetic gene clusters

3 January 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-021-00546-8

Hit Dexter 2.0: Machine-Learning Models for the Prediction of Frequent Hitters

3 January 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-021-00546-8

Establishing Computational Approaches Towards Identifying Malarial Allosteric Modulators: A Case Study of Plasmodium falciparum Hsp70s

3 January 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-021-00546-8

Development of a natural products database from the biodiversity of Brazil.

3 January 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-021-00546-8

Integrated Computational Approaches and Tools forAllosteric Drug Discovery

3 January 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-021-00546-8

Substructure-based annotation of high-resolution multistage MS(n) spectral trees.

3 January 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-021-00546-8

Rewarding compounds identified from the medicinal plant Rhodiola rosea

3 January 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-021-00546-8

Modulation of Human Hsp90α Conformational Dynamics by Allosteric Ligand Interaction at the C-Terminal Domain

3 January 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-021-00546-8

Extending the small-molecule similarity principle to all levels of biology with the Chemical Checker

3 January 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-021-00546-8

The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searching

3 January 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-021-00546-8

Determining the unbinding events and conserved motions associated with the pyrazinamide release due to resistance mutations of Mycobacterium tuberculosis pyrazinamidase

3 January 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-021-00546-8

StreptomeDB 3.0: an updated compendium of streptomycetes natural products

3 January 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-021-00546-8

Downy mildew resistance is genetically mediated by prophylactic production of phenylpropanoids in hop

3 January 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-021-00546-8

Correction of mass calibration gaps in liquid chromatography-mass spectrometry metabolomics data

3 January 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-021-00546-8

Skin Doctor CP: Conformal Prediction of the Skin Sensitization Potential of Small Organic Molecules

3 January 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-021-00546-8

A community resource for paired genomic and metabolomic data mining

3 January 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-021-00546-8

Natural Products as Sources of New Drugs over the Nearly Four Decades from 01/1981 to 09/2019

10 December 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-021-00546-8

Comprehensive mass spectrometry-guided phenotyping of plant specialized metabolites reveals metabolic diversity in the cosmopolitan plant family Rhamnaceae

10 December 2022

2 references

5 May 2024

https://opencitations.net/index/api/v1/citations/10.1111/TPJ.14292

5 May 2024

https://opencitations.net/index/api/v1/references/10.1186/S13321-021-00546-8

NERDD: a web portal providing access to in silico tools for drug discovery

1 reference

5 May 2024

https://opencitations.net/index/api/v1/references/10.1186/S13321-021-00546-8

The Galaxy platform for accessible, reproducible and collaborative biomedical analyses: 2020 update

1 reference

5 May 2024

https://opencitations.net/index/api/v1/references/10.1186/S13321-021-00546-8

Identifiers

DOI

10.1186/S13321-021-00546-8

1 reference