| Development and current status of the CHARMM force field for nucleic acids AD MacKerell Jr, N Banavali, N Foloppe Biopolymers: original Research on biomolecules 56 (4), 257-265, 2000 | 1269 | 2000 |
| All‐atom empirical force field for nucleic acids: II. Application to molecular dynamics simulations of DNA and RNA in solution AD MacKerell Jr, NK Banavali Journal of computational chemistry 21 (2), 105-120, 2000 | 910 | 2000 |
| Existing drugs as broad-spectrum and potent inhibitors for Zika virus by targeting NS2B-NS3 interaction Z Li, M Brecher, YQ Deng, J Zhang, S Sakamuru, B Liu, R Huang, ... Cell Research 27 (8), 1046-1064, 2017 | 197 | 2017 |
| Free energy and structural pathways of base flipping in a DNA GCGC containing sequence NK Banavali, AD MacKerell Jr Journal of Molecular Biology 319 (1), 141-160, 2002 | 193 | 2002 |
| Protein-facilitated base flipping in DNA by cytosine-5-methyltransferase N Huang, NK Banavali, AD MacKerell Jr Proceedings of the National Academy of Sciences 100 (1), 68-73, 2003 | 165 | 2003 |
| Free energy landscape of A-DNA to B-DNA conversion in aqueous solution NK Banavali, B Roux Journal of the American Chemical Society 127 (18), 6866-6876, 2005 | 156 | 2005 |
| Mapping the conformational transition in Src activation by cumulating the information from multiple molecular dynamics trajectories S Yang, NK Banavali, B Roux Proceedings of the National Academy of Sciences 106 (10), 3776-3781, 2009 | 127 | 2009 |
| Atomic radii for continuum electrostatics calculations on nucleic acids NK Banavali, B Roux The Journal of Physical Chemistry B 106 (42), 11026-11035, 2002 | 81 | 2002 |
| Use of oligodeoxyribonucleotides with conformationally constrained abasic sugar targets to probe the mechanism of base flipping by Hha I DNA (cytosine C5)-methyltransferase P Wang, AS Brank, NK Banavali, MC Nicklaus, VE Marquez, ... Journal of the American Chemical Society 122 (50), 12422-12434, 2000 | 70 | 2000 |
| Post-translational environmental switch of RadA activity by extein-intein interactions in protein splicing. NI Topilina, O Novikova, M Stanger, NK Banavali, M Belfort Nucleic Acids Research 43 (13), 6631-6648, 2015 | 69 | 2015 |
| Novel Broad Spectrum Inhibitors Targeting the Flavivirus Methyltransferase. M Brecher, H Chen, B Liu, NK Banavali, SA Jones, J Zhang, Z Li, ... PLoS One 10 (6), e0130062, 2015 | 66 | 2015 |
| Caught in the act: visualization of an intermediate in the DNA base-flipping pathway induced by HhaI methyltransferase JR Horton, G Ratner, NK Banavali, N Huang, Y Choi, MA Maier, ... Nucleic Acids Research 32 (13), 3877-3886, 2004 | 62 | 2004 |
| Identification and Characterization of Novel Broad-Spectrum Inhibitors of the Flavivirus Methyltransferase M Brecher, H Chen, Z Li, NK Banavali, SA Jones, J Zhang, LD Kramer, ... ACS Infectious Diseases 1 (8), 340-349, 2015 | 60 | 2015 |
| Insertion domain within mammalian mitochondrial translation initiation factor 2 serves the role of eubacterial initiation factor 1 AS Yassin, ME Haque, PP Datta, K Elmore, NK Banavali, LL Spremulli, ... Proceedings of the National Academy of Sciences 108 (10), 3918-3923, 2011 | 60 | 2011 |
| The N-terminal end of the catalytic domain of Src kinase Hck is a conformational switch implicated in long-range allosteric regulation NK Banavali, B Roux Structure 13 (11), 1715-1723, 2005 | 58 | 2005 |
| All-atom empirical force field for nucleic acids: 1) parameter optimization based on small molecule and condensed phase macromolecular target data JAD MacKerell, N Banavali J. Comp. Chem 21, 86-104, 2000 | 57 | 2000 |
| Selective inhibition of the West Nile virus methyltransferase by nucleoside analogs H Chen, L Liu, SA Jones, NK Banavali, J Kass, Z Li, J Zhang, LD Kramer, ... Antiviral Research 97 (3), 232-239, 2013 | 56 | 2013 |
| Anatomy of a structural pathway for activation of the catalytic domain of Src kinase Hck NK Banavali, B Roux Proteins: Structure, Function, and Bioinformatics 67 (4), 1096-1112, 2007 | 54 | 2007 |
| Structures of the human mitochondrial ribosome bound to EF-G1 reveal distinct features of mitochondrial translation elongation RK Koripella, MR Sharma, K Bhargava, PP Datta, PS Kaushal, ... Nature Communications 11 (1), 3830, 2020 | 50 | 2020 |
| Electrostatic free energy calculations using the generalized solvent boundary potential method NK Banavali, W Im, B Roux The Journal of Chemical Physics 117 (15), 7381-7388, 2002 | 48 | 2002 |
Benoit RouxProfessor of Biochemistry, The university of Chicago在 uchicago.edu 的电子邮件经过验证
