Hydrogen bonding in water B Chen, I Ivanov, ML Klein, M Parrinello Physical Review Letters 91 (21), 215503, 2003 | 399 | 2003 |
Near-atomic resolution visualization of human transcription promoter opening Y He, C Yan, J Fang, C Inouye, R Tjian, I Ivanov, E Nogales Nature 533, 359–365, 2016 | 294 | 2016 |
Synthetic mimics of antimicrobial peptides A Som, S Vemparala, I Ivanov, GN Tew Peptide Science 90 (2), 83-93, 2008 | 183 | 2008 |
Characterizing loop dynamics and ligand recognition in human-and avian-type influenza neuraminidases via generalized born molecular dynamics and end-point free energy calculations RE Amaro, X Cheng, I Ivanov, D Xu, JA McCammon Journal of the American Chemical Society 131 (13), 4702-4709, 2009 | 150 | 2009 |
Solvation Structure and Mobility Mechanism of OH-: A Car−Parrinello Molecular Dynamics Investigation of Alkaline Solutions B Chen, I Ivanov, JM Park, M Parrinello, ML Klein The Journal of Physical Chemistry B 106 (46), 12006-12016, 2002 | 114 | 2002 |
A new structural framework for integrating replication protein A into DNA processing machinery CA Brosey, C Yan, SE Tsutakawa, WT Heller, RP Rambo, JA Tainer, ... Nucleic Acids Research, 2013 | 112 | 2013 |
Natural product micheliolide (MCL) irreversibly activates pyruvate kinase M2 and suppresses leukemia J Li, S Li, J Guo, Q Li, J Long, C Ma, Y Ding, C Yan, L Li, Z Wu, H Zhu, ... Journal of medicinal chemistry 61 (9), 4155-4164, 2018 | 109 | 2018 |
Unraveling the three-metal-ion catalytic mechanism of the DNA repair enzyme endonuclease IV I Ivanov, JA Tainer, JA McCammon Proceedings of the National Academy of Sciences 104 (5), 1465-1470, 2007 | 104 | 2007 |
Characterization of nonbiological antimicrobial polymers in aqueous solution and at water− lipid interfaces from all-atom molecular dynamics I Ivanov, S Vemparala, V Pophristic, K Kuroda, WF DeGrado, ... Journal of the American Chemical Society 128 (6), 1778-1779, 2006 | 103 | 2006 |
Conserved structural chemistry for incision activity in structurally non-homologous apurinic/apyrimidinic endonuclease APE1 and endonuclease IV DNA repair enzymes SE Tsutakawa, DS Shin, CD Mol, T Izumi, AS Arvai, AK Mantha, ... Journal of Biological Chemistry 288 (12), 8445-8455, 2013 | 100 | 2013 |
First-principles study of aqueous hydroxide solutions B Chen, JM Park, I Ivanov, G Tabacchi, ML Klein, M Parrinello Journal of the American Chemical Society 124 (29), 8534-8535, 2002 | 99 | 2002 |
Histone H4 acetylation differentially modulates arginine methylation by an in Cis mechanism Y Feng, J Wang, S Asher, L Hoang, C Guardiani, I Ivanov, YG Zheng Journal of Biological Chemistry 286 (23), 20323-20334, 2011 | 94 | 2011 |
The design and evaluation of heparin-binding foldamers S Choi, DJ Clements, V Pophristic, I Ivanov, S Vemparala, JS Bennett, ... Angewandte Chemie-International Edition 44 (41), 6685-6688, 2005 | 93 | 2005 |
Proliferating cell nuclear antigen loaded onto double-stranded DNA: dynamics, minor groove interactions and functional implications I Ivanov, BR Chapados, JA McCammon, JA Tainer Nucleic acids research 34 (20), 6023-6033, 2006 | 90 | 2006 |
Diamidine compounds for selective inhibition of protein arginine methyltransferase 1 L Yan, C Yan, K Qian, H Su, SA Kofsky-Wofford, WC Lee, X Zhao, MC Ho, ... Journal of medicinal chemistry 57 (6), 2611-2622, 2014 | 89 | 2014 |
Nanosecond-timescale conformational dynamics of the human α7 nicotinic acetylcholine receptor X Cheng, I Ivanov, H Wang, SM Sine, JA McCammon Biophysical journal 93 (8), 2622-2634, 2007 | 86 | 2007 |
Deprotonation of a histidine residue in aqueous solution using constrained ab initio molecular dynamics I Ivanov, ML Klein Journal of the American Chemical Society 124 (45), 13380-13381, 2002 | 82 | 2002 |
Barriers to ion translocation in cationic and anionic receptors from the Cys-loop family I Ivanov, X Cheng, SM Sine, JA McCammon Journal of the American Chemical Society 129 (26), 8217-8224, 2007 | 80 | 2007 |
Structural mechanism of ATP-independent transcription initiation by RNA polymerase I Y Han, C Yan, T Nguyen, A Jackobel, I Ivanov, B Knutson, Y He eLife 6, e27414, 2017 | 73 | 2017 |
Solution X-ray scattering combined with computational modeling reveals multiple conformations of covalently bound ubiquitin on PCNA SE Tsutakawa, AW Van Wynsberghe, BD Freudenthal, CP Weinacht, ... Proceedings of the National Academy of Sciences 108 (43), 17672-17677, 2011 | 72 | 2011 |