Triagem virtual (Portuguese Wikipedia)
Analysis of information sources in references of the Wikipedia article "Triagem virtual" in Portuguese language version.
Last modified:
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Global rank
Portuguese rank
14th place
25th place
4th place
5th place
286th place
370th place
adsabs.harvard.edu (Global: 14th place; Portuguese: 25th place)
ui.adsabs.harvard.edu
- Santana K, do Nascimento LD, Lima e Lima A, Damasceno V, Nahum C, Braga RC, Lameira J (29 de abril de 2021). «Applications of Virtual Screening in Bioprospecting: Facts, Shifts, and Perspectives to Explore the Chemo-Structural Diversity of Natural Products». Frontiers in Chemistry. 9. Bibcode:2021FrCh....9..155S. ISSN 2296-2646. PMC 8117418
. PMID 33996755. doi:10.3389/fchem.2021.662688 - Kumar A, Zhang KY (2018). «Advances in the Development of Shape Similarity Methods and Their Application in Drug Discovery». Frontiers in Chemistry (em inglês). 6. Bibcode:2018FrCh....6..315K. PMC 6068280. PMID 30090808. doi:10.3389/fchem.2018.00315
- Maia EH, Assis LC, de Oliveira TA, da Silva AM, Taranto AG (28 de abril de 2020). «Structure-Based Virtual Screening: From Classical to Artificial Intelligence». Frontiers in Chemistry. 8. Bibcode:2020FrCh....8..343M. PMC 7200080. PMID 32411671. doi:10.3389/fchem.2020.00343
- Kooistra AJ, Vischer HF, McNaught-Flores D, Leurs R, de Esch IJ, de Graaf C (junho de 2016). «Function-specific virtual screening for GPCR ligands using a combined scoring method». Scientific Reports. 6. Bibcode:2016NatSR...628288K. PMC 4919634. PMID 27339552. doi:10.1038/srep28288
- Li H, Leung KS, Ballester PJ, Wong MH (24 de janeiro de 2014). «istar: a web platform for large-scale protein-ligand docking». PLOS ONE. 9 (1). Bibcode:2014PLoSO...985678L. PMC 3901662. PMID 24475049. doi:10.1371/journal.pone.0085678
- Irwin JJ (2008). «Community benchmarks for virtual screening». Journal of Computer-Aided Molecular Design. 22 (3–4): 193–9. Bibcode:2008JCAMD..22..193I. PMID 18273555. doi:10.1007/s10822-008-9189-4
- Good AC, Oprea TI (2008). «Optimization of CAMD techniques 3. Virtual screening enrichment studies: a help or hindrance in tool selection?». Journal of Computer-Aided Molecular Design. 22 (3–4): 169–78. Bibcode:2008JCAMD..22..169G. PMID 18188508. doi:10.1007/s10822-007-9167-2
- Nicholls A, Grant JA (2005). «Molecular shape and electrostatics in the encoding of relevant chemical information». Journal of Computer-Aided Molecular Design. 19 (9–10): 661–686. Bibcode:2005JCAMD..19..661N. PMID 16328855. doi:10.1007/s10822-005-9019-x
- Tran, Que-Huong; Nguyen, Quoc-Thai; Vo, Nguyen-Quynh-Huong; Mai, Tan Thanh; Tran, Thi-Thuy-Nga; Tran, Thanh-Dao; Le, Minh-Tri; Trinh, Dieu-Thuong Thi; Thai, Khac-Minh (6 de abril de 2022). «Structure-based 3D-Pharmacophore modeling to discover novel interleukin 6 inhibitors: An in silico screening, molecular dynamics simulations and binding free energy calculations». PLOS ONE (em inglês). 17 (4). Bibcode:2022PLoSO..1766632T. ISSN 1932-6203. PMC 8986010. PMID 35385549. doi:10.1371/journal.pone.0266632
- Le, M.-T.; Mai, T.T.; Huynh, P.N.H.; Tran, T.-D.; Thai, K.-M.; Nguyen, Q.-T. (1 de dezembro de 2020). «Structure-based discovery of interleukin-33 inhibitors: a pharmacophore modelling, molecular docking, and molecular dynamics simulation approach». SAR and QSAR in Environmental Research (em inglês). 31 (12): 883–904. Bibcode:2020SQER...31..883L. ISSN 1062-936X. PMID 33191795. doi:10.1080/1062936X.2020.1837239
arxiv.org (Global: 49th place; Portuguese: 108th place)
- Wallach I, Heifets A (2018). «Most Ligand-based classification benchmarks reward memorization rather than generalization». Journal of Chemical Information and Modeling. 58 (5): 916–932. PMID 29698607. arXiv:1706.06619. doi:10.1021/acs.jcim.7b00403
doi.org (Global: 2nd place; Portuguese: 4th place)
dx.doi.org
- Rollinger JM, Stuppner H, Langer T (2008). «Virtual screening for the discovery of bioactive natural products». Natural Compounds as Drugs Volume I. Col: Progress in Drug Research. Fortschritte der Arzneimittelforschung. Progrès des Recherches Pharmaceutiques. 65. [S.l.: s.n.] pp. 211, 213–49. ISBN 978-3-7643-8098-4. PMC 7124045. PMID 18084917. doi:10.1007/978-3-7643-8117-2_6
- Walters WP, Stahl MT, Murcko MA (1998). «Virtual screening – an overview». Drug Discov. Today. 3 (4): 160–178. doi:10.1016/S1359-6446(97)01163-X
- Bohacek RS, McMartin C, Guida WC (1996). «The art and practice of structure-based drug design: a molecular modeling perspective». Med. Res. Rev. 16 (1): 3–50. PMID 8788213. doi:10.1002/(SICI)1098-1128(199601)16:1<3::AID-MED1>3.0.CO;2-6
- McInnes C (outubro de 2007). «Virtual screening strategies in drug discovery». Current Opinion in Chemical Biology. 11 (5): 494–502. PMID 17936059. doi:10.1016/j.cbpa.2007.08.033
- Santana K, do Nascimento LD, Lima e Lima A, Damasceno V, Nahum C, Braga RC, Lameira J (29 de abril de 2021). «Applications of Virtual Screening in Bioprospecting: Facts, Shifts, and Perspectives to Explore the Chemo-Structural Diversity of Natural Products». Frontiers in Chemistry. 9. Bibcode:2021FrCh....9..155S. ISSN 2296-2646. PMC 8117418. PMID 33996755. doi:10.3389/fchem.2021.662688
- Sun H (2008). «Pharmacophore-based virtual screening». Current Medicinal Chemistry. 15 (10): 1018–24. PMID 18393859. doi:10.2174/092986708784049630
- Willet P, Barnard JM, Downs GM (1998). «Chemical similarity searching». Journal of Chemical Information and Computer Sciences. 38 (6): 983–996. CiteSeerX 10.1.1.453.1788. doi:10.1021/ci9800211
- Rush TS, Grant JA, Mosyak L, Nicholls A (março de 2005). «A shape-based 3-D scaffold hopping method and its application to a bacterial protein-protein interaction». Journal of Medicinal Chemistry. 48 (5): 1489–95. CiteSeerX 10.1.1.455.4728. PMID 15743191. doi:10.1021/jm040163o
- Ballester PJ, Westwood I, Laurieri N, Sim E, Richards WG (fevereiro de 2010). «Prospective virtual screening with Ultrafast Shape Recognition: the identification of novel inhibitors of arylamine N-acetyltransferases». Journal of the Royal Society, Interface. 7 (43): 335–42. PMC 2842611. PMID 19586957. doi:10.1098/rsif.2009.0170
- Kumar A, Zhang KY (2018). «Advances in the Development of Shape Similarity Methods and Their Application in Drug Discovery». Frontiers in Chemistry (em inglês). 6. Bibcode:2018FrCh....6..315K. PMC 6068280. PMID 30090808. doi:10.3389/fchem.2018.00315
- Li H, Leung KS, Wong MH, Ballester PJ (julho de 2016). «USR-VS: a web server for large-scale prospective virtual screening using ultrafast shape recognition techniques». Nucleic Acids Research (em inglês). 44 (W1): W436–41. PMC 4987897. PMID 27106057. doi:10.1093/nar/gkw320
- Sperandio O, Petitjean M, Tuffery P (julho de 2009). «wwLigCSRre: a 3D ligand-based server for hit identification and optimization». Nucleic Acids Research. 37 (Web Server issue): W504–9. PMC 2703967. PMID 19429687. doi:10.1093/nar/gkp324
- Kirchmair J, Distinto S, Markt P, Schuster D, Spitzer GM, Liedl KR, Wolber G (2009). «How To Optimize Shape-Based Virtual Screening: Choosing the Right Query and Including Chemical Information». Journal of Chemical Information and Modeling. 49 (3): 678–692. PMID 19434901. doi:10.1021/ci8004226
- Toledo Warshaviak D, Golan G, Borrelli KW, Zhu K, Kalid O (julho de 2014). «Structure-based virtual screening approach for discovery of covalently bound ligands». Journal of Chemical Information and Modeling. 54 (7): 1941–50. PMID 24932913. doi:10.1021/ci500175r
- Maia EH, Assis LC, de Oliveira TA, da Silva AM, Taranto AG (28 de abril de 2020). «Structure-Based Virtual Screening: From Classical to Artificial Intelligence». Frontiers in Chemistry. 8. Bibcode:2020FrCh....8..343M. PMC 7200080. PMID 32411671. doi:10.3389/fchem.2020.00343
- Kroemer RT (agosto de 2007). «Structure-based drug design: docking and scoring». Current Protein & Peptide Science. 8 (4): 312–28. CiteSeerX 10.1.1.225.959. PMID 17696866. doi:10.2174/138920307781369382
- Cavasotto CN, Orry AJ (2007). «Ligand docking and structure-based virtual screening in drug discovery». Current Topics in Medicinal Chemistry. 7 (10): 1006–14. PMID 17508934. doi:10.2174/156802607780906753
- Kooistra AJ, Vischer HF, McNaught-Flores D, Leurs R, de Esch IJ, de Graaf C (junho de 2016). «Function-specific virtual screening for GPCR ligands using a combined scoring method». Scientific Reports. 6. Bibcode:2016NatSR...628288K. PMC 4919634. PMID 27339552. doi:10.1038/srep28288
- Irwin JJ, Shoichet BK, Mysinger MM, Huang N, Colizzi F, Wassam P, Cao Y (setembro de 2009). «Automated docking screens: a feasibility study». Journal of Medicinal Chemistry. 52 (18): 5712–20. PMC 2745826. PMID 19719084. doi:10.1021/jm9006966
- Li H, Leung KS, Ballester PJ, Wong MH (24 de janeiro de 2014). «istar: a web platform for large-scale protein-ligand docking». PLOS ONE. 9 (1). Bibcode:2014PLoSO...985678L. PMC 3901662. PMID 24475049. doi:10.1371/journal.pone.0085678
- Zhou H, Skolnick J (janeiro de 2013). «FINDSITE(comb): a threading/structure-based, proteomic-scale virtual ligand screening approach». Journal of Chemical Information and Modeling (em inglês). 53 (1): 230–40. PMC 3557555. PMID 23240691. doi:10.1021/ci300510n
- Roy A, Skolnick J (fevereiro de 2015). «LIGSIFT: an open-source tool for ligand structural alignment and virtual screening». Bioinformatics. 31 (4): 539–44. PMC 4325547. PMID 25336501. doi:10.1093/bioinformatics/btu692
- Gaulton A, Bellis LJ, Bento AP, Chambers J, Davies M, Hersey A, Light Y, McGlinchey S, Michalovich D, Al-Lazikani B, Overington JP (janeiro de 2012). «ChEMBL: a large-scale bioactivity database for drug discovery». Nucleic Acids Research. 40 (Database issue): D1100–7. PMC 3245175. PMID 21948594. doi:10.1093/nar/gkr777
- Wishart DS, Knox C, Guo AC, Shrivastava S, Hassanali M, Stothard P, Chang Z, Woolsey J (janeiro de 2006). «DrugBank: a comprehensive resource for in silico drug discovery and exploration». Nucleic Acids Research. 34 (Database issue): D668–72. PMC 1347430. PMID 16381955. doi:10.1093/nar/gkj067
- Réau M, Langenfeld F, Zagury JF, Lagarde N, Montes M (2018). «Decoys Selection in Benchmarking Datasets: Overview and Perspectives». Frontiers in Pharmacology. 9. PMC 5787549. PMID 29416509. doi:10.3389/fphar.2018.00011
- Ballester PJ (dezembro de 2019). «Selecting machine-learning scoring functions for structure-based virtual screening». Drug Discovery Today: Technologies. 32-33: 81–87. PMID 33386098. doi:10.1016/j.ddtec.2020.09.001
- Li H, Sze KH, Lu G, Ballester PJ (2021). «Machine-learning scoring functions for structure-based virtual screening». WIREs Computational Molecular Science (em inglês). 11 (1). ISSN 1759-0884. doi:10.1002/wcms.1478
- Wallach I, Heifets A (2018). «Most Ligand-based classification benchmarks reward memorization rather than generalization». Journal of Chemical Information and Modeling. 58 (5): 916–932. PMID 29698607. arXiv:1706.06619. doi:10.1021/acs.jcim.7b00403
- Irwin JJ (2008). «Community benchmarks for virtual screening». Journal of Computer-Aided Molecular Design. 22 (3–4): 193–9. Bibcode:2008JCAMD..22..193I. PMID 18273555. doi:10.1007/s10822-008-9189-4
- Good AC, Oprea TI (2008). «Optimization of CAMD techniques 3. Virtual screening enrichment studies: a help or hindrance in tool selection?». Journal of Computer-Aided Molecular Design. 22 (3–4): 169–78. Bibcode:2008JCAMD..22..169G. PMID 18188508. doi:10.1007/s10822-007-9167-2
- Schneider G (abril de 2010). «Virtual screening: an endless staircase?». Nature Reviews. Drug Discovery. 9 (4): 273–6. PMID 20357802. doi:10.1038/nrd3139
- Ballester PJ (janeiro de 2011). «Ultrafast shape recognition: method and applications». Future Medicinal Chemistry. 3 (1): 65–78. PMID 21428826. doi:10.4155/fmc.10.280
- Lavecchia A, Di Giovanni C (2013). «Virtual screening strategies in drug discovery: a critical review». Current Medicinal Chemistry. 20 (23): 2839–60. PMID 23651302. doi:10.2174/09298673113209990001
- Spitzer GM, Heiss M, Mangold M, Markt P, Kirchmair J, Wolber G, Liedl KR (2010). «One concept, three implementations of 3D pharmacophore-based virtual screening: distinct coverage of chemical search space». Journal of Chemical Information and Modeling. 50 (7): 1241–1247. PMID 20583761. doi:10.1021/ci100136b
- Grant JA, Gallard MA, Pickup BT (1996). «A fast method of molecular shape comparison: a simple application of a Gaussian description of molecular shape». Journal of Computational Chemistry. 17 (14): 1653–1666. doi:10.1002/(SICI)1096-987X(19961115)17:14<1653::AID-JCC7>3.0.CO;2-K
- Nicholls A, Grant JA (2005). «Molecular shape and electrostatics in the encoding of relevant chemical information». Journal of Computer-Aided Molecular Design. 19 (9–10): 661–686. Bibcode:2005JCAMD..19..661N. PMID 16328855. doi:10.1007/s10822-005-9019-x
- Rush TS, Grant JA, Mosyak L, Nicholls A (2005). «A shape-based 3-D scaffold hopping method and its application to a bacterial protein-protein interaction». Journal of Medicinal Chemistry. 48 (5): 1489–1495. PMID 15743191. doi:10.1021/jm040163o
- Ni B, Wang H, Khalaf HK, Blay V, Houston DR (maio de 2024). «AutoDock-SS: AutoDock for Multiconformational Ligand-Based Virtual Screening». Journal of Chemical Information and Modeling. 64 (9): 3779–3789. PMC 11094722. PMID 38624083. doi:10.1021/acs.jcim.4c00136
- Cheeseright TJ, Mackey MD, Melville JL, Vinter JG (novembro de 2008). «FieldScreen: virtual screening using molecular fields. Application to the DUD data set». Journal of Chemical Information and Modeling. 48 (11): 2108–2117. PMID 18991371. doi:10.1021/ci800110p
- Lang S, Slater MJ (maio de 2024). «Virtual Screening Strategies for Identifying Novel Chemotypes». Journal of Medicinal Chemistry. 67 (9): 6897–6898. PMID 38654500. doi:10.1021/acs.jmedchem.4c00906
- Neves BJ, Braga RC, Melo-Filho CC, Moreira-Filho JT, Muratov EN, Andrade CH (13 de novembro de 2018). «QSAR-Based Virtual Screening: Advances and Applications in Drug Discovery». Frontiers in Pharmacology. 9. PMC 6262347. PMID 30524275. doi:10.3389/fphar.2018.01275
- Luttens, Andreas; Cabeza de Vaca, Israel; Sparring, Leonard; Brea, José; Martínez, Antón Leandro; Kahlous, Nour Aldin; Radchenko, Dmytro S.; Moroz, Yurii S.; Loza, María Isabel; Norinder, Ulf; Carlsson, Jens (13 de março de 2025). «Rapid traversal of vast chemical space using machine learning-guided docking screens». Nature Computational Science (em inglês). 5 (4): 301–312. ISSN 2662-8457. PMC 12021657. PMID 40082701. doi:10.1038/s43588-025-00777-x
- Alsenan S, Al-Turaiki I, Hafez A (dezembro de 2020). «A Recurrent Neural Network model to predict blood-brain barrier permeability». Computational Biology and Chemistry. 89. PMID 33010784. doi:10.1016/j.compbiolchem.2020.107377
- Dimitri GM, Lió P (junho de 2017). «DrugClust: A machine learning approach for drugs side effects prediction». Computational Biology and Chemistry. 68: 204–210. PMID 28391063. doi:10.1016/j.compbiolchem.2017.03.008
- Shoombuatong W, Schaduangrat N, Pratiwi R, Nantasenamat C (junho de 2019). «THPep: A machine learning-based approach for predicting tumor homing peptides». Computational Biology and Chemistry. 80: 441–451. PMID 31151025. doi:10.1016/j.compbiolchem.2019.05.008
- Tran, Que-Huong; Nguyen, Quoc-Thai; Vo, Nguyen-Quynh-Huong; Mai, Tan Thanh; Tran, Thi-Thuy-Nga; Tran, Thanh-Dao; Le, Minh-Tri; Trinh, Dieu-Thuong Thi; Thai, Khac-Minh (6 de abril de 2022). «Structure-based 3D-Pharmacophore modeling to discover novel interleukin 6 inhibitors: An in silico screening, molecular dynamics simulations and binding free energy calculations». PLOS ONE (em inglês). 17 (4). Bibcode:2022PLoSO..1766632T. ISSN 1932-6203. PMC 8986010. PMID 35385549. doi:10.1371/journal.pone.0266632
- Le, M.-T.; Mai, T.T.; Huynh, P.N.H.; Tran, T.-D.; Thai, K.-M.; Nguyen, Q.-T. (1 de dezembro de 2020). «Structure-based discovery of interleukin-33 inhibitors: a pharmacophore modelling, molecular docking, and molecular dynamics simulation approach». SAR and QSAR in Environmental Research (em inglês). 31 (12): 883–904. Bibcode:2020SQER...31..883L. ISSN 1062-936X. PMID 33191795. doi:10.1080/1062936X.2020.1837239
- Koes, D. R.; Camacho, C. J. (1 de julho de 2012). «ZINCPharmer: pharmacophore search of the ZINC database». Nucleic Acids Research (em inglês). 40 (W1): W409–W414. ISSN 0305-1048. PMC 3394271. PMID 22553363. doi:10.1093/nar/gks378
- Bender, Brian J.; Gahbauer, Stefan; Luttens, Andreas; Lyu, Jiankun; Webb, Chase M.; Stein, Reed M.; Fink, Elissa A.; Balius, Trent E.; Carlsson, Jens; Irwin, John J.; Shoichet, Brian K. (2021). «A practical guide to large-scale docking». Nature Protocols (em inglês). 16 (10): 4799–4832. ISSN 1750-2799. PMC 8522653. PMID 34561691. doi:10.1038/s41596-021-00597-z
- Pradeepkiran JA, Reddy PH (março de 2019). «Structure Based Design and Molecular Docking Studies for Phosphorylated Tau Inhibitors in Alzheimer's Disease». Cells. 8 (3): 260. PMC 6468864. PMID 30893872. doi:10.3390/cells8030260
ebi.ac.uk (Global: 4,422nd place; Portuguese: 8,681st place)
- Gillet V (2013). «Ligand-Based and Structure-Based Virtual Screening» (PDF). The University of Sheffield
nih.gov (Global: 5th place; Portuguese: 6th place)
ncbi.nlm.nih.gov
- Rester U (julho de 2008). «From virtuality to reality - Virtual screening in lead discovery and lead optimization: a medicinal chemistry perspective». Current Opinion in Drug Discovery & Development. 11 (4): 559–68. PMID 18600572
- Rollinger JM, Stuppner H, Langer T (2008). «Virtual screening for the discovery of bioactive natural products». Natural Compounds as Drugs Volume I. Col: Progress in Drug Research. Fortschritte der Arzneimittelforschung. Progrès des Recherches Pharmaceutiques. 65. [S.l.: s.n.] pp. 211, 213–49. ISBN 978-3-7643-8098-4. PMC 7124045. PMID 18084917. doi:10.1007/978-3-7643-8117-2_6
- Bohacek RS, McMartin C, Guida WC (1996). «The art and practice of structure-based drug design: a molecular modeling perspective». Med. Res. Rev. 16 (1): 3–50. PMID 8788213. doi:10.1002/(SICI)1098-1128(199601)16:1<3::AID-MED1>3.0.CO;2-6
- McInnes C (outubro de 2007). «Virtual screening strategies in drug discovery». Current Opinion in Chemical Biology. 11 (5): 494–502. PMID 17936059. doi:10.1016/j.cbpa.2007.08.033
- Santana K, do Nascimento LD, Lima e Lima A, Damasceno V, Nahum C, Braga RC, Lameira J (29 de abril de 2021). «Applications of Virtual Screening in Bioprospecting: Facts, Shifts, and Perspectives to Explore the Chemo-Structural Diversity of Natural Products». Frontiers in Chemistry. 9. Bibcode:2021FrCh....9..155S. ISSN 2296-2646. PMC 8117418. PMID 33996755. doi:10.3389/fchem.2021.662688
- Sun H (2008). «Pharmacophore-based virtual screening». Current Medicinal Chemistry. 15 (10): 1018–24. PMID 18393859. doi:10.2174/092986708784049630
- Rush TS, Grant JA, Mosyak L, Nicholls A (março de 2005). «A shape-based 3-D scaffold hopping method and its application to a bacterial protein-protein interaction». Journal of Medicinal Chemistry. 48 (5): 1489–95. CiteSeerX 10.1.1.455.4728. PMID 15743191. doi:10.1021/jm040163o
- Ballester PJ, Westwood I, Laurieri N, Sim E, Richards WG (fevereiro de 2010). «Prospective virtual screening with Ultrafast Shape Recognition: the identification of novel inhibitors of arylamine N-acetyltransferases». Journal of the Royal Society, Interface. 7 (43): 335–42. PMC 2842611. PMID 19586957. doi:10.1098/rsif.2009.0170
- Kumar A, Zhang KY (2018). «Advances in the Development of Shape Similarity Methods and Their Application in Drug Discovery». Frontiers in Chemistry (em inglês). 6. Bibcode:2018FrCh....6..315K. PMC 6068280. PMID 30090808. doi:10.3389/fchem.2018.00315
- Li H, Leung KS, Wong MH, Ballester PJ (julho de 2016). «USR-VS: a web server for large-scale prospective virtual screening using ultrafast shape recognition techniques». Nucleic Acids Research (em inglês). 44 (W1): W436–41. PMC 4987897. PMID 27106057. doi:10.1093/nar/gkw320
- Sperandio O, Petitjean M, Tuffery P (julho de 2009). «wwLigCSRre: a 3D ligand-based server for hit identification and optimization». Nucleic Acids Research. 37 (Web Server issue): W504–9. PMC 2703967. PMID 19429687. doi:10.1093/nar/gkp324
- Kirchmair J, Distinto S, Markt P, Schuster D, Spitzer GM, Liedl KR, Wolber G (2009). «How To Optimize Shape-Based Virtual Screening: Choosing the Right Query and Including Chemical Information». Journal of Chemical Information and Modeling. 49 (3): 678–692. PMID 19434901. doi:10.1021/ci8004226
- Toledo Warshaviak D, Golan G, Borrelli KW, Zhu K, Kalid O (julho de 2014). «Structure-based virtual screening approach for discovery of covalently bound ligands». Journal of Chemical Information and Modeling. 54 (7): 1941–50. PMID 24932913. doi:10.1021/ci500175r
- Maia EH, Assis LC, de Oliveira TA, da Silva AM, Taranto AG (28 de abril de 2020). «Structure-Based Virtual Screening: From Classical to Artificial Intelligence». Frontiers in Chemistry. 8. Bibcode:2020FrCh....8..343M. PMC 7200080. PMID 32411671. doi:10.3389/fchem.2020.00343
- Kroemer RT (agosto de 2007). «Structure-based drug design: docking and scoring». Current Protein & Peptide Science. 8 (4): 312–28. CiteSeerX 10.1.1.225.959. PMID 17696866. doi:10.2174/138920307781369382
- Cavasotto CN, Orry AJ (2007). «Ligand docking and structure-based virtual screening in drug discovery». Current Topics in Medicinal Chemistry. 7 (10): 1006–14. PMID 17508934. doi:10.2174/156802607780906753
- Kooistra AJ, Vischer HF, McNaught-Flores D, Leurs R, de Esch IJ, de Graaf C (junho de 2016). «Function-specific virtual screening for GPCR ligands using a combined scoring method». Scientific Reports. 6. Bibcode:2016NatSR...628288K. PMC 4919634. PMID 27339552. doi:10.1038/srep28288
- Irwin JJ, Shoichet BK, Mysinger MM, Huang N, Colizzi F, Wassam P, Cao Y (setembro de 2009). «Automated docking screens: a feasibility study». Journal of Medicinal Chemistry. 52 (18): 5712–20. PMC 2745826. PMID 19719084. doi:10.1021/jm9006966
- Li H, Leung KS, Ballester PJ, Wong MH (24 de janeiro de 2014). «istar: a web platform for large-scale protein-ligand docking». PLOS ONE. 9 (1). Bibcode:2014PLoSO...985678L. PMC 3901662. PMID 24475049. doi:10.1371/journal.pone.0085678
- Zhou H, Skolnick J (janeiro de 2013). «FINDSITE(comb): a threading/structure-based, proteomic-scale virtual ligand screening approach». Journal of Chemical Information and Modeling (em inglês). 53 (1): 230–40. PMC 3557555. PMID 23240691. doi:10.1021/ci300510n
- Roy A, Skolnick J (fevereiro de 2015). «LIGSIFT: an open-source tool for ligand structural alignment and virtual screening». Bioinformatics. 31 (4): 539–44. PMC 4325547. PMID 25336501. doi:10.1093/bioinformatics/btu692
- Gaulton A, Bellis LJ, Bento AP, Chambers J, Davies M, Hersey A, Light Y, McGlinchey S, Michalovich D, Al-Lazikani B, Overington JP (janeiro de 2012). «ChEMBL: a large-scale bioactivity database for drug discovery». Nucleic Acids Research. 40 (Database issue): D1100–7. PMC 3245175. PMID 21948594. doi:10.1093/nar/gkr777
- Wishart DS, Knox C, Guo AC, Shrivastava S, Hassanali M, Stothard P, Chang Z, Woolsey J (janeiro de 2006). «DrugBank: a comprehensive resource for in silico drug discovery and exploration». Nucleic Acids Research. 34 (Database issue): D668–72. PMC 1347430. PMID 16381955. doi:10.1093/nar/gkj067
- Réau M, Langenfeld F, Zagury JF, Lagarde N, Montes M (2018). «Decoys Selection in Benchmarking Datasets: Overview and Perspectives». Frontiers in Pharmacology. 9. PMC 5787549. PMID 29416509. doi:10.3389/fphar.2018.00011
- Ballester PJ (dezembro de 2019). «Selecting machine-learning scoring functions for structure-based virtual screening». Drug Discovery Today: Technologies. 32-33: 81–87. PMID 33386098. doi:10.1016/j.ddtec.2020.09.001
- Wallach I, Heifets A (2018). «Most Ligand-based classification benchmarks reward memorization rather than generalization». Journal of Chemical Information and Modeling. 58 (5): 916–932. PMID 29698607. arXiv:1706.06619. doi:10.1021/acs.jcim.7b00403
- Irwin JJ (2008). «Community benchmarks for virtual screening». Journal of Computer-Aided Molecular Design. 22 (3–4): 193–9. Bibcode:2008JCAMD..22..193I. PMID 18273555. doi:10.1007/s10822-008-9189-4
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