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Year Number of Results
2010 1
2011 1
2012 1
2014 1
2015 2
2016 1
2020 1
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Page 1
A k-nearest neighbor classification of hERG K(+) channel blockers.
Chavan S, Abdelaziz A, Wiklander JG, Nicholls IA. Chavan S, et al. J Comput Aided Mol Des. 2016 Mar;30(3):229-36. doi: 10.1007/s10822-016-9898-z. Epub 2016 Feb 10. J Comput Aided Mol Des. 2016. PMID: 26860111 Free PMC article.
Theoretical and Computational Strategies for the Study of the Molecular Imprinting Process and Polymer Performance.
Nicholls IA, Chavan S, Golker K, Karlsson BC, Olsson GD, Rosengren AM, Suriyanarayanan S, Wiklander JG. Nicholls IA, et al. Among authors: chavan s. Adv Biochem Eng Biotechnol. 2015;150:25-50. doi: 10.1007/10_2015_318. Adv Biochem Eng Biotechnol. 2015. PMID: 25786710 Review.
Towards global QSAR model building for acute toxicity: Munro database case study.
Chavan S, Nicholls IA, Karlsson BC, Rosengren AM, Ballabio D, Consonni V, Todeschini R. Chavan S, et al. Int J Mol Sci. 2014 Oct 9;15(10):18162-74. doi: 10.3390/ijms151018162. Int J Mol Sci. 2014. PMID: 25302621 Free PMC article.
Molecular dynamics directed CoMFA studies on carbocyclic neuraminidase inhibitors.
Chavan S, Bhayye S, Sobhia ME. Chavan S, et al. Mol Divers. 2011 Nov;15(4):979-87. doi: 10.1007/s11030-011-9332-3. Epub 2011 Sep 16. Mol Divers. 2011. PMID: 21922291
Rational design of CCR2 antagonists: a survey of computational studies.
Sobhia ME, Singh R, Kare P, Chavan S. Sobhia ME, et al. Among authors: chavan s. Expert Opin Drug Discov. 2010 Jun;5(6):543-57. doi: 10.1517/17460441.2010.482559. Epub 2010 May 14. Expert Opin Drug Discov. 2010. PMID: 22823166
Predicting Chemical-Induced Liver Toxicity Using High-Content Imaging Phenotypes and Chemical Descriptors: A Random Forest Approach.
Chavan S, Scherbak N, Engwall M, Repsilber D. Chavan S, et al. Chem Res Toxicol. 2020 Sep 21;33(9):2261-2275. doi: 10.1021/acs.chemrestox.9b00459. Epub 2020 Sep 10. Chem Res Toxicol. 2020. PMID: 32830476
Binding site characterization of G protein-coupled receptor by alanine-scanning mutagenesis using molecular dynamics and binding free energy approach: application to C-C chemokine receptor-2 (CCR2).
Chavan S, Pawar S, Singh R, Sobhia ME. Chavan S, et al. Mol Divers. 2012 May;16(2):401-13. doi: 10.1007/s11030-012-9368-z. Epub 2012 Apr 22. Mol Divers. 2012. PMID: 22528270