Distinct structures and dynamics of chromatosomes with different human linker histone isoforms BR Zhou, H Feng, S Kale, T Fox, H Khant, N de Val, R Ghirlando, ... Molecular Cell 81 (1), 166-182. e6, 2021 | 95 | 2021 |
Lewis-inspired representation of dissociable water in clusters and Grotthuss chains S Kale, J Herzfeld, S Dai, M Blank Journal of biological physics 38, 49-59, 2012 | 41 | 2012 |
Phase-plate cryo-EM structure of the Widom 601 CENP-A nucleosome core particle reveals differential flexibility of the DNA ends R Boopathi, R Danev, M Khoshouei, S Kale, S Nahata, L Ramos, ... Nucleic acids research 48 (10), 5735-5748, 2020 | 38 | 2020 |
Proton defect solvation and dynamics in aqueous acid and base S Kale, J Herzfeld Angewandte Chemie (International ed. in English) 51 (44), 11029, 2012 | 35 | 2012 |
Natural polarizability and flexibility via explicit valency: The case of water S Kale, J Herzfeld The Journal of chemical physics 136 (8), 2012 | 30 | 2012 |
Histone octamer structure is altered early in ISW2 ATP-dependent nucleosome remodeling A Hada, SK Hota, J Luo, Y Lin, S Kale, AK Shaytan, SK Bhardwaj, ... Cell reports 28 (1), 282-294. e6, 2019 | 28 | 2019 |
Pairwise long-range compensation for strongly ionic systems S Kale, J Herzfeld Journal of chemical theory and computation 7 (11), 3620-3624, 2011 | 26 | 2011 |
Molecular recognition of nucleosomes by binding partners S Kale, A Goncearenco, Y Markov, D Landsman, AR Panchenko Current opinion in structural biology 56, 164-170, 2019 | 25 | 2019 |
Unraveling linker histone interactions in nucleosomes F Hao, S Kale, S Dimitrov, JJ Hayes Current opinion in structural biology 71, 87-93, 2021 | 24 | 2021 |
Transferable pseudoclassical electrons for aufbau of atomic ions S Ekesan, S Kale, J Herzfeld Journal of computational chemistry 35 (15), 1159-1164, 2014 | 18 | 2014 |
Multiple time-step dual-hamiltonian hybrid molecular dynamics–monte carlo canonical propagation algorithm Y Chen, S Kale, J Weare, AR Dinner, B Roux Journal of chemical theory and computation 12 (4), 1449-1458, 2016 | 14 | 2016 |
Chemistry with semi-classical electrons: reaction trajectories auto-generated by sub-atomistic force fields C Bai, S Kale, J Herzfeld Chemical Science 8 (6), 4203-4210, 2017 | 13 | 2017 |
Potential regulatory role of competitive encounter complexes in paralogous phosphotransferase systems M Strickland, S Kale, MP Strub, CD Schwieters, J Liu, A Peterkofsky, ... Journal of molecular biology 431 (12), 2331-2342, 2019 | 12 | 2019 |
The CENP-A nucleosome: where and when it happens during the inner kinetochore’s assembly S Kale, R Boopathi, E Belotti, IN Lone, M Graies, M Schröder, M Petrova, ... Trends in Biochemical Sciences, 2023 | 7 | 2023 |
CENP-A nucleosome is a sensitive allosteric scaffold for DNA and chromatin factors D Doğan, M Arslan, T Uluçay, S Kalyoncu, S Dimitrov, S Kale Journal of molecular biology 433 (6), 166789, 2021 | 7 | 2021 |
Model of a kinetically driven crosstalk between paralogous protein encounter complexes S Kale, M Strickland, A Peterkofsky, J Liu, N Tjandra Biophysical journal 117 (9), 1655-1665, 2019 | 7 | 2019 |
Finding chemical reaction paths with a multilevel preconditioning protocol S Kale, O Sode, J Weare, AR Dinner Journal of chemical theory and computation 10 (12), 5467-5475, 2014 | 7 | 2014 |
Molecular mechanism of nucleosome recognition by the pioneer transcription factor Sox B Ozden, R Boopathi, AB Barlas, IN Lone, J Bednar, C Petosa, S Kale, ... Journal of Chemical Information and Modeling 63 (12), 3839-3853, 2023 | 5 | 2023 |
Nucleosome dyad determines the H1 C-terminus collapse on distinct DNA arms JA Louro, R Boopathi, B Beinsteiner, AKM Patel, TC Cheng, D Angelov, ... Structure 31 (2), 201-212. e5, 2023 | 4 | 2023 |
Engineering of conserved residues near antibody heavy chain complementary determining region 3 (HCDR3) improves both affinity and stability M Arslan, T Uluçay, S Kale, S Kalyoncu Biochimica et Biophysica Acta (BBA)-Proteins and Proteomics 1871 (4), 140915, 2023 | 2 | 2023 |