| Year |
Citation |
Score |
| 2012 |
Nieto MJ, Pierini AB, Singh N, McCurdy CR, Manzo RH, Mazzieri MR. SAR analysis of new dual targeting fluoroquinolones. Implications of the benzenesulfonyl group. Medicinal Chemistry (ShāRiqah (United Arab Emirates)). 8: 349-60. PMID 22530906 DOI: 10.2174/157340612800786633 |
0.543 |
|
| 2010 |
Singh N, Warshel A. Absolute binding free energy calculations: on the accuracy of computational scoring of protein-ligand interactions. Proteins. 78: 1705-23. PMID 20186976 DOI: 10.1002/Prot.22687 |
0.337 |
|
| 2010 |
Singh N, Warshel A. A comprehensive examination of the contributions to the binding entropy of protein-ligand complexes. Proteins. 78: 1724-35. PMID 20186973 DOI: 10.1002/Prot.22689 |
0.334 |
|
| 2009 |
Nolan T, Singh N, McCurdy CR. Ligand macromolecule interactions: theoretical principles of molecular recognition. Methods in Molecular Biology (Clifton, N.J.). 572: 13-29. PMID 20694683 DOI: 10.1007/978-1-60761-244-5_2 |
0.543 |
|
| 2009 |
Dayan FE, Singh N, McCurdy CR, Godfrey CA, Larsen L, Weavers RT, Van Klink JW, Perry NB. Beta-triketone inhibitors of plant p-hydroxyphenylpyruvate dioxygenase: modeling and comparative molecular field analysis of their interactions. Journal of Agricultural and Food Chemistry. 57: 5194-200. PMID 19435355 DOI: 10.1021/Jf9005593 |
0.544 |
|
| 2009 |
Singh N, Warshel A. Toward accurate microscopic calculation of solvation entropies: extending the restraint release approach to studies of solvation effects. The Journal of Physical Chemistry. B. 113: 7372-82. PMID 19402609 DOI: 10.1021/Jp811063V |
0.309 |
|
| 2008 |
Singh N, Nolan TL, McCurdy CR. Chemical function-based pharmacophore development for novel, selective kappa opioid receptor agonists. Journal of Molecular Graphics & Modelling. 27: 131-9. PMID 18456526 DOI: 10.1016/J.Jmgm.2008.03.007 |
0.505 |
|
| 2007 |
Singh N, Avery MA, McCurdy CR. Toward Mycobacterium tuberculosis DXR inhibitor design: homology modeling and molecular dynamics simulations. Journal of Computer-Aided Molecular Design. 21: 511-22. PMID 17874041 DOI: 10.1007/S10822-007-9132-0 |
0.572 |
|
| 2007 |
Singh N, Chevé G, Avery MA, McCurdy CR. Targeting the methyl erythritol phosphate (MEP) pathway for novel antimalarial, antibacterial and herbicidal drug discovery: inhibition of 1-deoxy-D-xylulose-5-phosphate reductoisomerase (DXR) enzyme. Current Pharmaceutical Design. 13: 1161-77. PMID 17430177 DOI: 10.2174/138161207780618939 |
0.538 |
|
| 2007 |
Dayan FE, Duke SO, Sauldubois A, Singh N, McCurdy C, Cantrell C. p-Hydroxyphenylpyruvate dioxygenase is a herbicidal target site for beta-triketones from Leptospermum scoparium. Phytochemistry. 68: 2004-14. PMID 17368492 DOI: 10.1016/J.Phytochem.2007.01.026 |
0.53 |
|
| 2006 |
Singh N, Chevé G, Ferguson DM, McCurdy CR. A combined ligand-based and target-based drug design approach for G-protein coupled receptors: application to salvinorin A, a selective kappa opioid receptor agonist. Journal of Computer-Aided Molecular Design. 20: 471-93. PMID 17009091 DOI: 10.1007/S10822-006-9067-X |
0.568 |
|
| 2006 |
Singh N, Chevé G, Avery MA, McCurdy CR. Comparative protein modeling of 1-deoxy-D-xylulose-5-phosphate reductoisomerase enzyme from Plasmodium falciparum: a potential target for antimalarial drug discovery. Journal of Chemical Information and Modeling. 46: 1360-70. PMID 16711755 DOI: 10.1021/Ci050523W |
0.561 |
|
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