SCAM Detective: Accurate Predictor of Small, Colloidally Aggregating Molecules-Reference-Cited by-同舟云学术

SCAM Detective: Accurate Predictor of Small, Colloidally Aggregating Molecules

Published:2020-07-17 Issue:8 Volume:60 Page:4056-4063
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Alves Vinicius M.¹^ORCID,Capuzzi Stephen J.¹^ORCID,Braga Rodolpho C.²,Korn Daniel¹,Hochuli Joshua E.¹,Bowler Kyle H.¹,Yasgar Adam³^ORCID,Rai Ganesha³^ORCID,Simeonov Anton³,Muratov Eugene N.¹⁴^ORCID,Zakharov Alexey V.³^ORCID,Tropsha Alexander¹^ORCID

Affiliation:

1. Laboratory for Molecular Modeling, Division of Chemical Biology and Medicinal Chemistry, UNC Eshelman School of Pharmacy, University of North Carolina, Chapel Hill, North Carolina 27599, United States

2. InsilicAll, São Paulo, São Paulo 04363-090, Brazil

3. National Center for Advancing Translational Sciences (NCATS), National Institutes of Health, 9800 Medical Center Drive, Rockville, Maryland 20850, United States

4. Department of Pharmaceutical Sciences, Federal University of Paraiba, João Pessoa, Paraíba 58059, Brazil

Funder

National Center for Advancing Translational Sciences

National Cancer Institute

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.0c00415

Reference41 articles.

1. Internal Structure and Preferential Protein Binding of Colloidal Aggregates

2. Apparent activity in high-throughput screening: origins of compound-dependent assay interference

3. A Specific Mechanism of Nonspecific Inhibition

4. Computational advances in combating colloidal aggregation in drug discovery

5. Development of a Virtual Screening Method for Identification of “Frequent Hitters” in Compound Libraries

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