Ding Y, Kiryutin AS, Yurkovskaya AV, Sosnovsky DV, Sagdeev RZ, Bannister S, Kottke T, Kar RK, Schapiro I, Ivanov KL, et al. Nuclear spin-hyperpolarization generated in a flavoprotein under illumination: experimental field-dependence and theoretical level crossing analysis. Scientific Reports.  2019;9 (1) :18436.

Schapiro I, Gueye M, Paolino M, Fusi S, Marchand G, Haacke S, Martin ME, Huntress M, Vysotskiy VP, Veryazov V, et al. Synthesis, spectroscopy and QM/MM simulations of a biomimetic ultrafast light-driven molecular motor. Photochem. Photobiol. Sci. [Internet].  2019;18 :2259-2269.

Wiebeler C, Schapiro I. QM/MM Benchmarking of Cyanobacteriochrome Slr1393g3 Absorption Spectra. Molecules [Internet].  2019;24 (9).

Wiebeler C, Rao AG, Gärtner W, Schapiro I. The Effective Conjugation Length Is Responsible for the Red/Green Spectral Tuning in the Cyanobacteriochrome Slr1393g3. Angewandte Chemie International Edition [Internet].  2019;58 (7) :1934-1938.

Fdez. Galván I, Vacher M, Alavi A, Angeli C, Aquilante F, Autschbach J, Bao JJ, Bokarev SI, Bogdanov NA, Carlson RK, et al. OpenMolcas: From Source Code to Insight. Journal of Chemical Theory and ComputationJournal of Chemical Theory and Computation [Internet].  2019;15 (11) :5925 - 5964.

Ehrenberg D, Krause N, Saita M, Bamann C, Kar RK, Hoffmann K, Heinrich D, Schapiro I, Heberle J, Schlesinger R. Atomistic Insight into the Role of Threonine 127 in the Functional Mechanism of Channelrhodopsin-2. Applied Sciences [Internet].  2019;9 (22).

Kar RK, Borin VA, Ding Y, Matysik J, Schapiro I. Spectroscopic Properties of Lumiflavin: A Quantum Chemical Study. Photochemistry and Photobiology [Internet].  2019;95 (2) :662-674.