A.M. Armon, Bedi, A. , Borin, V. , Schapiro, I. , and Gidron, O. . 2021. “Bending Versus Twisting Acenes – A Computational Study”. European Journal Of Organic Chemistry, 2021, 39, Pp. 5424 - 5429. https://www.scopus.com/inward/record.uri?eid=2-s2.0-85117518611&doi=10.1002%2fejoc.202100865&partnerID=40&md5=9e6f97c30382cd93ff149ebe2c2aafb9.

Y. Han, Wang, Z. , Wei, Z. , Schapiro, I. , and Li, J. . 2021. “Binding Affinity And Mechanisms Of Sars-Cov-2 Variants”. Computational And Structural Biotechnology Journal, 19, Pp. 4184 - 4191. https://www.scopus.com/inward/record.uri?eid=2-s2.0-85111766326&doi=10.1016%2fj.csbj.2021.07.026&partnerID=40&md5=949850a3591d42dc55fae16912c228b4.

S. Riebe, Adam, S. , Roy, B. , Maisuls, I. , Daniliuc, C.G. , Dubbert, J. , Strassert, C.A. , Schapiro, I. , and Voskuhl, J. . 2021. “Bridged Aromatic Oxo- And Thioethers With Intense Emission In Solution And The Solid State”. Chemistry - An Asian Journal, 16, 16, Pp. 2307 - 2313. https://www.scopus.com/inward/record.uri?eid=2-s2.0-85112685629&doi=10.1002%2fasia.202100492&partnerID=40&md5=f8f33df0bcf6421e9ee47424daeeea9f.

J.R. Church, Rao, A.G. , Barnoy, A. , Wiebeler, C. , and Schapiro, I. . 2021. Computational Studies Of Photochemistry In Phytochrome Proteins, Pp. 197 - 226. https://www.scopus.com/inward/record.uri?eid=2-s2.0-85094566081&doi=10.1007%2f978-3-030-57721-6_4&partnerID=40&md5=0a2a42f1ede5621cd41315575869d0b6.

M.-A. Mroginski, Adam, S. , Amoyal, G.S. , Barnoy, A. , Bondar, A.-N. , Borin, V.A. , Church, J.R. , Domratcheva, T. , Ensing, B. , Fanelli, F. , Ferré, N. , Filiba, O. , Pedraza-González, L. , González, R. , González-Espinoza, C.E. , Kar, R.K. , Kemmler, L. , Kim, S.S. , Kongsted, J. , Krylov, A.I. , Lahav, Y. , Lazaratos, M. , NasserEddin, Q. , Navizet, I. , Nemukhin, A. , Olivucci, M. , Olsen, J.M.H. , Pérez de Alba Ort{\'ız, A. , Pieri, E. , Rao, A.G. , Rhee, Y.M. , Ricardi, N. , Sen, S. , Solov’yov, I.A. , De Vico, L. , Wesolowski, T.A. , Wiebeler, C. , Yang, X. , and Schapiro, I. . 2021. “Frontiers In Multiscale Modeling Of Photoreceptor Proteins”. Photochemistry And Photobiology, 97, 2, Pp. 243 - 269. https://www.scopus.com/inward/record.uri?eid=2-s2.0-85100850859&doi=10.1111%2fphp.13372&partnerID=40&md5=847931448b2107c679cb1c5c97aabb85.

A.G. Rao, Wiebeler, C. , Sen, S. , Cerutti, D.S. , and Schapiro, I. . 2021. “Histidine Protonation Controls Structural Heterogeneity In The Cyanobacteriochrome Anpixjg2”. Physical Chemistry Chemical Physics, 23, 12, Pp. 7359 - 7367. https://www.scopus.com/inward/record.uri?eid=2-s2.0-85103692833&doi=10.1039%2fd0cp05314g&partnerID=40&md5=43be10161b20aec1064b7a95c13d6732.

S. Sen, Kar, R.K. , Borin, V.A. , and Schapiro, I. . 2021. “Insight Into The Isomerization Mechanism Of Retinal Proteins From Hybrid Quantum Mechanics/Molecular Mechanics Simulations”. Wiley Interdisciplinary Reviews: Computational Molecular Science. https://www.scopus.com/inward/record.uri?eid=2-s2.0-85111156914&doi=10.1002%2fwcms.1562&partnerID=40&md5=3bc69366a1075afea33a81b7a6737acd.

Y. Lahav, Noy, D. , and Schapiro, I. . 2021. “Spectral Tuning Of Chlorophylls In Proteins - Electrostaticsvs.ring Deformation”. Physical Chemistry Chemical Physics, 23, 11, Pp. 6544 - 6551. https://www.scopus.com/inward/record.uri?eid=2-s2.0-85103355595&doi=10.1039%2fd0cp06582j&partnerID=40&md5=448274a0c5cba9ef66f9ab684cf38a20.

S. Adam, Wiebeler, C. , and Schapiro, I. . 2021. “Structural Factors Determining The Absorption Spectrum Of Channelrhodopsins: A Case Study Of The Chimera C1C2”. Journal Of Chemical Theory And Computation, 17, 10, Pp. 6302 - 6313. https://www.scopus.com/inward/record.uri?eid=2-s2.0-85111115742&doi=10.1021%2facs.jctc.1c00160&partnerID=40&md5=4877a47080db9d5d1006f4136f3e5f1d.

J.F. Bada Juarez, Judge, P.J. , Adam, S. , Axford, D. , Vinals, J. , Birch, J. , Kwan, T.O.C. , Hoi, K.K. , Yen, H.-Y. , Vial, A. , Milhiet, P.-E. , Robinson, C.V. , Schapiro, I. , Moraes, I. , and Watts, A. . 2021. “Structures Of The Archaerhodopsin-3 Transporter Reveal That Disordering Of Internal Water Networks Underpins Receptor Sensitization”. Nature Communications, 12, 1. https://www.scopus.com/inward/record.uri?eid=2-s2.0-85099922560&doi=10.1038%2fs41467-020-20596-0&partnerID=40&md5=f37f843a312ca36ac8d57660bc1700cc.

M. Asido, Kar, R.K. , Kriebel, C.N. , Braun, M. , Glaubitz, C. , Schapiro, I. , and Wachtveitl, J. . 2021. “Transient Near-Uv Absorption Of The Light-Driven Sodium Pump Krokinobacter Eikastus Rhodopsin 2: A Spectroscopic Marker For Retinal Configuration”. Journal Of Physical Chemistry Letters, 12, 27, Pp. 6284 - 6291. https://www.scopus.com/inward/record.uri?eid=2-s2.0-85111337057&doi=10.1021%2facs.jpclett.1c01436&partnerID=40&md5=074f65ce4cde957d5eea023c184a3af3.

S.G. Sokolovski, Zherebtsov, E.A. , Kar, R.K. , Golonka, D. , Stabel, R. , Chichkov, N.B. , Gorodetsky, A. , Schapiro, I. , Möglich, A. , and Rafailov, E.U.. 2021. “Two-Photon Conversion Of A Bacterial Phytochrome”. Biophysical Journal, 120, 5, Pp. 964 - 974. https://www.scopus.com/inward/record.uri?eid=2-s2.0-85101243282&doi=10.1016%2fj.bpj.2021.01.028&partnerID=40&md5=7811a13010f602d500aadc6298874f4b.