| Polarizable force fields: history, test cases, and prospects A Warshel, M Kato, AV Pisliakov Journal of Chemical Theory and Computation 3 (6), 2034-2045, 2007 | 413 | 2007 |
| Enzyme millisecond conformational dynamics do not catalyze the chemical step AV Pisliakov, J Cao, SCL Kamerlin, A Warshel Proceedings of the National Academy of Sciences 106 (41), 17359-17364, 2009 | 239 | 2009 |
| Two-dimensional optical three-pulse photon echo spectroscopy. II. Signatures of coherent electronic motion and exciton population transfer in dimer two-dimensional spectra AV Pisliakov, T Mančal, GR Fleming Journal of Chemical Physics 124, 234505, 2006 | 156 | 2006 |
| The barrier for proton transport in aquaporins as a challenge for electrostatic models: the role of protein relaxation in mutational calculations M Kato, AV Pisliakov, A Warshel Proteins: Structure, Function, and Bioinformatics 64 (4), 829-844, 2006 | 155 | 2006 |
| Crystal structure of quinol-dependent nitric oxide reductase from Geobacillus stearothermophilus Y Matsumoto, T Tosha, AV Pisliakov, T Hino, H Sugimoto, S Nagano, ... Nature structural & molecular biology 19 (2), 238-245, 2012 | 150 | 2012 |
| Structural insights into electron transfer in caa3-type cytochrome oxidase JA Lyons, D Aragão, O Slattery, AV Pisliakov, T Soulimane, M Caffrey Nature 487 (7408), 514-518, 2012 | 130 | 2012 |
| Lysyl-tRNA synthetase as a drug target in malaria and cryptosporidiosis B Baragaña, B Forte, R Choi, S Nakazawa Hewitt, JA Bueren-Calabuig, ... Proceedings of the National Academy of Sciences 116 (14), 7015-7020, 2019 | 112 | 2019 |
| Electrostatic basis for the unidirectionality of the primary proton transfer in cytochrome c oxidase AV Pisliakov, PK Sharma, ZT Chu, M Haranczyk, A Warshel Proceedings of the National Academy of Sciences 105 (22), 7726-7731, 2008 | 111 | 2008 |
| Two-dimensional optical three-pulse photon echo spectroscopy. I. Nonperturbative approach to the calculation of spectra T Mančal, AV Pisliakov, GR Fleming Journal of Chemical Physics 124, 234504, 2006 | 93 | 2006 |
| Intracellular transfer of Na+ in an active-state G-protein-coupled receptor ON Vickery, CA Carvalheda, SA Zaidi, AV Pisliakov, V Katritch, ... Structure 26 (1), 171-180. e2, 2018 | 82 | 2018 |
| Molecular basis of RNA guanine-7 methyltransferase (RNMT) activation by RAM D Varshney, AP Petit, JA Bueren-Calabuig, C Jansen, DA Fletcher, ... Nucleic acids research 44 (21), 10423-10436, 2016 | 66 | 2016 |
| The energetics of the primary proton transfer in bacteriorhodopsin revisited: It is a sequential light-induced charge separation after all S Braun-Sand, PK Sharma, ZT Chu, AV Pisliakov, A Warshel Biochimica et Biophysica Acta (BBA)-Bioenergetics 1777 (5), 441-452, 2008 | 47 | 2008 |
| A simple model for the calculation of nonlinear optical response functions and femtosecond time-resolved spectra MF Gelin, AV Pisliakov, D Egorova, W Domcke Journal of Chemical Physics 118, 5287-5301, 2003 | 47 | 2003 |
| Molecular dynamics simulations reveal proton transfer pathways in cytochrome c-dependent nitric oxide reductase AV Pisliakov, T Hino, Y Shiro, Y Sugita PLoS Computational Biology 8 (8), e1002674, 2012 | 45 | 2012 |
| Detection of electronic and vibrational coherence effects in electron-transfer systems by femtosecond time-resolved fluorescence spectroscopy: Theoretical aspects AV Pisliakov, MF Gelin, W Domcke Journal of Physical Chemistry A 107 (15), 2657-2666, 2003 | 43 | 2003 |
| Time-and frequency-gated spontaneous emission as a tool for studying vibrational dynamics in the excited state MF Gelin, AV Pisliakov, W Domcke Physical Review A 65 (6), 062507, 2002 | 41 | 2002 |
| A two-lane mechanism for selective biological ammonium transport G Williamson, G Tamburrino, A Bizior, M Boeckstaens, G Dias Mirandela, ... Elife 9, e57183, 2020 | 31 | 2020 |
| Mechanism of allosteric activation of human mRNA cap methyltransferase (RNMT) by RAM: insights from accelerated molecular dynamics simulations JA Bueren-Calabuig, MG Bage, VH Cowling, AV Pisliakov Nucleic Acids Research 47 (16), 8675–8692, 2019 | 28 | 2019 |
| Mechanism of allosteric activation of human mRNA cap methyltransferase (RNMT) by RAM: Insights from accelerated molecular dynamics simulations JA Bueren-Calabuig, M Bage, VH Cowling, AV Pisliakov bioRxiv, 558502, 2019 | 28 | 2019 |
| Unified description of sequential and coherent contributions to time-resolved spontaneous emission signals: Generalized doorway–window approach MF Gelin, D Egorova, AV Pisliakov, W Domcke Chemical Physics Letters 391 (4), 234-242, 2004 | 17 | 2004 |
