Igor Schapiro (I Schapiro)

ResearcherID Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 64

Top Topics

Optical Coherence Tomography

Diabetic Retinopathy

Molecular Dynamics

Top Venues

Nature communications

Physical chemistry chemical physics : PCCP

The journal of physical chemistry letters

Journal of chemical information and modeling

This page only lists publications with an associated author ORCID identifier.

Publications

Meitar Sela, Jonathan Richard Church, Igor Schapiro, Dina Schneidman-Duhovny
RhoMax: Computational Prediction of Rhodopsin Absorption Maxima Using Geometric Deep Learning. Journal of chemical information and modeling (2024)
Yinon Deree, Benny Bogoslavsky, Igor Schapiro, Ori Gidron
The photochemistry and photophysics of benzoyl-carbazole. Physical chemistry chemical physics : PCCP 26 (26) (2024)
Meitar Sela, Jonathan Richard Church, Igor Schapiro, Dina Schneidman-Duhovny
RhoMax: Computational Prediction of Rhodopsin Absorption Maxima Using Geometric Deep Learning. Journal of chemical information and modeling 64 (12) (2024)
Yinon Deree, Benny Bogoslavsky, Igor Schapiro, Ori Gidron
The photochemistry and photophysics of benzoyl-carbazole. Physical chemistry chemical physics : PCCP (2024)
Meitar Sela, Jonathan Richard Church, Igor Schapiro, Dina Schneidman-Duhovny
RhoMax: Computational Prediction of Rhodopsin Absorption Maxima Using Geometric Deep Learning. Journal of chemical information and modeling 64 (12) (2024)
Yinon Deree, Benny Bogoslavsky, Igor Schapiro, Ori Gidron
The photochemistry and photophysics of benzoyl-carbazole. Physical chemistry chemical physics : PCCP 26 (26) (2024)
E Podoliak, Gerrit H U Lamm, E Marin, A V Schellbach, Daniil A Fedotov, Artem Stetsenko, Marvin Asido, N Maliar, G Bourenkov, Taras Balandin, C Baeken, R Astashkin, Thomas R Schneider, Alex Bateman, Josef Wachtveitl, Igor Schapiro, Volker Busskamp, Albert Guskov, V Gordeliy, Alexey Alekseev, Kirill V Kovalev
A subgroup of light-driven sodium pumps with an additional Schiff base counterion. Nature communications 15 (1) (2024)
E Podoliak, Gerrit H U Lamm, E Marin, A V Schellbach, Daniil A Fedotov, Artem Stetsenko, Marvin Asido, N Maliar, G Bourenkov, Taras Balandin, C Baeken, R Astashkin, Thomas R Schneider, Alex Bateman, Josef Wachtveitl, Igor Schapiro, Volker Busskamp, Albert Guskov, V Gordeliy, Alexey Alekseev, Kirill V Kovalev
A subgroup of light-driven sodium pumps with an additional Schiff base counterion. Nature communications 15 (1) (2024)
E Podoliak, Gerrit H U Lamm, E Marin, A V Schellbach, Daniil A Fedotov, Artem Stetsenko, Marvin Asido, N Maliar, G Bourenkov, Taras Balandin, C Baeken, R Astashkin, Thomas R Schneider, Alex Bateman, Josef Wachtveitl, Igor Schapiro, Volker Busskamp, Albert Guskov, V Gordeliy, Alexey Alekseev, Kirill V Kovalev
A subgroup of light-driven sodium pumps with an additional Schiff base counterion. Nature communications 15 (1) (2024)
Matthias Broser, Anika Spreen, Patrick E Konold, Enrico Schiewer, Suliman Adam, Veniamin A Borin, Igor Schapiro, Reinhard Seifert, John T M Kennis, Yinth Andrea Bernal Sierra, Peter Hegemann
Author Correction: NeoR, a near-infrared absorbing rhodopsin. Nature communications 15 (1) (2024)
Matthias Broser, Anika Spreen, Patrick E Konold, Enrico Schiewer, Suliman Adam, Veniamin A Borin, Igor Schapiro, Reinhard Seifert, John T M Kennis, Yinth Andrea Bernal Sierra, Peter Hegemann
Author Correction: NeoR, a near-infrared absorbing rhodopsin. Nature communications 15 (1) (2024)
Meitar Sela, Jonathan Richard Church, Igor Schapiro, Dina Schneidman-Duhovny
RhoMax: Computational Prediction of Rhodopsin Absorption Maxima Using Geometric Deep Learning. Journal of chemical information and modeling 64 (12) (2024)
E Podoliak, Gerrit H U Lamm, E Marin, A V Schellbach, Daniil A Fedotov, Artem Stetsenko, Marvin Asido, N Maliar, G Bourenkov, Taras Balandin, C Baeken, R Astashkin, Thomas R Schneider, Alex Bateman, Josef Wachtveitl, Igor Schapiro, Volker Busskamp, Albert Guskov, V Gordeliy, Alexey Alekseev, Kirill V Kovalev
A subgroup of light-driven sodium pumps with an additional Schiff base counterion. Nature communications 15 (1) (2024)
Yonatan Sukhran, Israel Alshanski, Ofer Filiba, Megan J Mackintosh, Igor Schapiro, Mattan Hurevich
Unexpected Nucleophile Masking in Acyl Transfer to Sterically Crowded and Conformationally Restricted Galactosides. The Journal of organic chemistry (2023)
Felix G Gemeinhardt, Yigal Lahav, Igor Schapiro, Dror Noy, Frank Müh, Dominik Lindorfer, Thomas Renger
Short-Range Effects in the Special Pair of Photosystem II Reaction Centers: The Nonconservative Nature of Circular Dichroism. The journal of physical chemistry letters 14 (51) (2023)
David Buhrke, Yigal Lahav, Aditya Rao, Jeannette Ruf, Igor Schapiro, Peter Hamm
Transient 2D IR Spectroscopy and Multiscale Simulations Reveal Vibrational Couplings in the Cyanobacteriochrome Slr1393-g3. Journal of the American Chemical Society (2023)
Tzuriel S Metzger, Harikrishna Batchu, Anil Kumar, Daniil A Fedotov, Naama Goren, Deb Kumar Bhowmick, Israa Shioukhi, Shira Yochelis, Igor Schapiro, Ron Naaman, Ori Gidron, Yossi Paltiel
Optical Activity and Spin Polarization: The Surface Effect. Journal of the American Chemical Society (2023)
Giovanni Li Manni, Ignacio Fdez Galván, Ali Alavi, Flavia Aleotti, Francesco Aquilante, Jochen Autschbach, Davide Avagliano, Alberto Baiardi, Jie J Bao, Stefano Battaglia, Letitia Birnoschi, Alejandro Blanco-González, Sergey I Bokarev, Ria Broer, Roberto Cacciari, Paul B Calio, Rebecca K Carlson, Rafael C Couto, Luis Cerdán, Liviu F Chibotaru, Nicholas F Chilton, Jonathan Richard Church, Irene Conti, Sonia Coriani, Juliana Cuéllar-Zuquin, Razan E Daoud, Nike Dattani, Piero Decleva, Coen de Graaf, Mickaël G Delcey, Luca De Vico, Werner Dobrautz, Sijia S Dong, Rulin Feng, Nicolas Ferré, Michael Filatov Gulak, Soumen Ghosh, Marco Garavelli, Leticia González, Yafu Guan, Meiyuan Guo, Matthew R Hennefarth, Matthew R Hermes, Chad E Hoyer, Miquel Huix-Rotllant, Vishal Kumar Jaiswal, Andy Kaiser, Danil S Kaliakin, Marjan Khamesian, Daniel S King, Vladislav Kochetov, Marek Krośnicki, Arpit Arun Kumaar, Ernst Dennis Larsson, Susi Lehtola, Marie-Bernadette Lepetit, Hans Lischka, Pablo López Ríos, Marcus Lundberg, Dongxia Ma, Sebastian Mai, Philipp Marquetand, Isabella C D Merritt, Francesco Montorsi, Maximilian Mörchen, Artur Nenov, Vu Ha Anh Nguyen, Yoshio Nishimoto, Meagan S Oakley, Massimo Olivucci, Markus Oppel, Daniele Padula, Riddhish Pandharkar, Quan Manh Phung, Felix Plasser, Gerardo Raggi, Elisa Rebolini, Markus Reiher, Ivan Rivalta, Daniel Roca-Sanjuán, Thies Romig, Arta Anushirwan Safari, Aitor Sánchez-Mansilla, Andrew M Sand, Igor Schapiro, Thais R Scott, Javier Segarra-Marti, Francesco Segatta, Dumitru-Claudiu Sergentu, Prachi Sharma, Ron Shepard, Yinan Shu, Jakob K Staab, Tjerk P Straatsma, Lasse Kragh Sørensen, Bruno Nunes Cabral Tenorio, Donald G Truhlar, Liviu Ungur, Morgane Vacher, Valera Veryazov, Torben Arne Voß, Oskar Weser, Dihua Wu, Xuchun Yang, David R Yarkony, Chen Zhou, J Patrick Zobel, Roland Lindh
The OpenMolcas Web : A Community-Driven Approach to Advancing Computational Chemistry. Journal of chemical theory and computation (2023)
Megan J Mackintosh, Dorothee Hoischen, Hans-Dieter Martin, Igor Schapiro, Wolfgang Gärtner
Merocyanines form bacteriorhodopsins with strongly bathochromic absorption maxima. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology (2023)
Felix G Gemeinhardt, Yigal Lahav, Igor Schapiro, Dror Noy, Frank Müh, Dominik Lindorfer, Thomas Renger
Short-Range Effects in the Special Pair of Photosystem II Reaction Centers: The Nonconservative Nature of Circular Dichroism. The journal of physical chemistry letters 14 (51) (2023)
Felix G Gemeinhardt, Yigal Lahav, Igor Schapiro, Dror Noy, Frank Müh, Dominik Lindorfer, Thomas Renger
Short-Range Effects in the Special Pair of Photosystem II Reaction Centers: The Nonconservative Nature of Circular Dichroism. The journal of physical chemistry letters 14 (51) (2023)
Julius Gemen, Jonathan Richard Church, Tero-Petri Ruoko, Nikita A Durandin, Michał J Białek, Maren Weißenfels, Moran Feller, Miri Kazes, Magdalena Odaybat, Veniamin A Borin, Rishir Kalepu, Yael Diskin-Posner, Dan Oron, Matthew John Fuchter, Arri Priimägi, Igor Schapiro, Rafal Klajn
Disequilibrating azobenzenes by visible-light sensitization under confinement. Science (New York, N.Y.) 381 (6664) (2023)
Felix G Gemeinhardt, Yigal Lahav, Igor Schapiro, Dror Noy, Frank Müh, Dominik Lindorfer, Thomas Renger
Short-Range Effects in the Special Pair of Photosystem II Reaction Centers: The Nonconservative Nature of Circular Dichroism. The journal of physical chemistry letters (2023)
Niccolò Ricardi, Cristina E González-Espinoza, Suliman Adam, Jonathan R Church, Igor Schapiro, Tomasz Adam Wesołowski
Embedding Nonrigid Solutes in an Averaged Environment: A Case Study on Rhodopsins. Journal of chemical theory and computation (2023)
Ofer Filiba, Veniamin A Borin, Igor Schapiro
The involvement of triplet states in the isomerization of retinaloids. Physical chemistry chemical physics : PCCP 24 (42) (2022)
Andrey Rozenberg, Igor Kaczmarczyk, Donna Matzov, Johannes Vierock, Takashi Nagata, Masahiro Sugiura, Kota Katayama, Yuma Kawasaki, Masae Konno, Yujiro Nagasaka, Mako Aoyama, Ishita Das, Efrat Pahima, Jonathan Richard Church, Suliman Adam, Veniamin A Borin, Ariel Chazan, Sandra Augustin, Jonas Wietek, Julien Dine, Yoav Peleg, Akira Kawanabe, Yuichiro Fujiwara, Ofer Yizhar, Mordechai Sheves, Igor Schapiro, Yuji Furutani, Hideki Kandori, Keiichi Inoue, Peter Hegemann, Oded Béjà, Moran Shalev-Benami
Rhodopsin-bestrophin fusion proteins from unicellular algae form gigantic pentameric ion channels. Nature structural & molecular biology 29 (6) (2022)
Manuel Maestre-Reyna, Cheng-Han Yang, Eriko Nango, Wei-Cheng Huang, Eka Putra Gusti Ngurah Putu, Wen-Jin Wu, Po-Hsun Wang, Sophie Franz-Badur, Martin Saft, Hans-Joachim Emmerich, Hsiang-Yi Wu, Cheng-Chung Lee, Kai-Fa Huang, Yao-Kai Chang, Jiahn-Haur Liao, Jui-Hung Weng, Wael Gad, Chiung-Wen Chang, Allan H Pang, Michihiro Sugahara, Shigeki Owada, Yuhei Hosokawa, Yasumasa Joti, Ayumi Yamashita, Rie Tanaka, Tomoyuki Tanaka, Fangjia Luo, Kensure Tono, Kai-Cheng Hsu, Stephan Kiontke, Igor Schapiro, Roberta Spadaccini, Antoine Royant, Junpei Yamamoto, So Iwata, Lars-Oliver Essen, Yoshitaka Bessho, Ming-Daw Tsai
Serial crystallography captures dynamic control of sequential electron and proton transfer events in a flavoenzyme. Nature chemistry 14 (6) (2022)
Aditya G Rao, Igor Schapiro
Photoisomerization of phytochrome chromophore models: an XMS-CASPT2 study. Physical chemistry chemical physics : PCCP (2022)
Partha Malakar, Veniamin A Borin, Anjan Bedi, Igor Schapiro, Ori Gidron, Sanford Ruhman
The impact of twisting on the intersystem crossing in acenes: an experimental and computational study. Physical chemistry chemical physics : PCCP 24 (4) (2022)
Yang Yang, Till Stensitzki, Luisa Sauthof, Andrea Schmidt, Patrick Piwowarski, Francisco Velazquez Escobar, Norbert Michael, Anh Duc Nguyen, Michal Szczepek, Florian Nikolas Brünig, Roland Rüdiger Netz, Maria-Andrea Mroginski, Suliman Adam, Franz Bartl, Igor Schapiro, Peter Hildebrandt, Patrick Scheerer, Karsten Heyne
Ultrafast proton-coupled isomerization in the phototransformation of phytochrome. Nature chemistry 14 (7) (2022)
Sandra Mous, Guillaume Gotthard, David Ehrenberg, Saumik Sen, Tobias Weinert, Philip J M Johnson, Daniel James, Karol Nass, Antonia Furrer, Demet Kekilli, Pikyee Ma, Steffen Brünle, Cecilia Maria Casadei, Isabelle Martiel, Florian S N Dworkowski, Dardan Gashi, Petr Skopintsev, Maximilian Wranik, Gregor Knopp, Ezequiel Panepucci, Valerie Panneels, Claudio Cirelli, Dmitry Ozerov, Gebhard F X Schertler, Meitian Wang, Christopher J Milne, Joerg Standfuss, Igor Schapiro, Joachim Heberle, Przemyslaw Nogly
Dynamics and mechanism of a light-driven chloride pump. Science (New York, N.Y.) 375 (6583) (2022)
Julia Dietler, Renate Gelfert, Jennifer Kaiser, Veniamin A Borin, Christian Renzl, Sebastian Pilsl, Américo Tavares Ranzani, Andrés García de Fuentes, Tobias Gleichmann, Ralph P Diensthuber, Michael Weyand, Günter Mayer, Igor Schapiro, Andreas Möglich
Signal transduction in light-oxygen-voltage receptors lacking the active-site glutamine. Nature communications 13 (1) (2022)
Jonathan Richard Church, Gil S Amoyal, Veniamin A Borin, Suliman Adam, Jógvan Magnus Haugaard Olsen, Igor Schapiro
Deciphering the Spectral Tuning Mechanism in Proteorhodopsin: The Dominant Role of Electrostatics Instead of Chromophore Geometry. Chemistry (Weinheim an der Bergstrasse, Germany) 28 (28) (2022)
Riccardo Palombo, Leonardo Barneschi, Laura Pedraza-González, Daniele Padula, Igor Schapiro, Massimo Olivucci
Retinal chromophore charge delocalization and confinement explain the extreme photophysics of Neorhodopsin. Nature communications 13 (1) (2022)
Suliman Adam, Christian Wiebeler, Igor Schapiro
Structural Factors Determining the Absorption Spectrum of Channelrhodopsins: A Case Study of the Chimera C1C2. Journal of chemical theory and computation 17 (10) (2021)
Aditya G Rao, Christian Wiebeler, Saumik Sen, David S Cerutti, Igor Schapiro
Histidine protonation controls structural heterogeneity in the cyanobacteriochrome AnPixJg2. Physical chemistry chemical physics : PCCP 23 (12) (2021)
Marvin Asido, Rajiv Kumar Kar, Clara Nassrin Kriebel, Markus Braun, Clemens Glaubitz, Igor Schapiro, Josef Wachtveitl
Transient Near-UV Absorption of the Light-Driven Sodium Pump Krokinobacter eikastus Rhodopsin 2: A Spectroscopic Marker for Retinal Configuration. The journal of physical chemistry letters 12 (27) (2021)
Jonathan Richard Church, Jógvan Magnus Haugaard Olsen, Igor Schapiro
The Impact of Retinal Configuration on the Protein-Chromophore Interactions in Bistable Jumping Spider Rhodopsin-1. Molecules (Basel, Switzerland) 27 (1) (2021)
Amit Manor Armon, Anjan Bedi, Veniamin A Borin, Igor Schapiro, Ori Gidron
Bending versus Twisting Acenes - A Computational Study. European journal of organic chemistry 2021 (39) (2021)
Maria-Andrea Mroginski, Suliman Adam, Gil S Amoyal, Avishai Barnoy, Ana-Nicoleta Bondar, Veniamin A Borin, Jonathan Richard Church, Tatiana Domratcheva, Bernd Ensing, Francesca Fanelli, Nicolas Ferré, Ofer Filiba, Laura Pedraza-González, Ronald González, Cristina E González-Espinoza, Rajiv Kumar Kar, Lukas Kemmler, Seung Soo Kim, Jacob Kongsted, Anna I Krylov, Yigal Lahav, Michalis Lazaratos, Qays NasserEddin, Isabelle Navizet, Alexander V Nemukhin, Massimo Olivucci, Jógvan Magnus Haugaard Olsen, Alberto Pérez de Alba Ortíz, Elisa Pieri, Aditya G Rao, Young Min Rhee, Niccolò Ricardi, Saumik Sen, Ilia A Solov'yov, Luca De Vico, Tomasz Adam Wesołowski, Christian Wiebeler, Xuchun Yang, Igor Schapiro
Frontiers in Multiscale Modeling of Photoreceptor Proteins. Photochemistry and photobiology 97 (2) (2021)
Juan Francisco Bada Juarez, Peter J Judge, Suliman Adam, Danny N Axford, Javier Vinals, James Birch, Tristan O C Kwan, Kin Kuan Hoi, Hsin-Yung Yen, Anthony Vial, Pierre-Emmanuel Milhiet, Carol V Robinson, Igor Schapiro, Isabel Moraes, Anthony Watts
Structures of the archaerhodopsin-3 transporter reveal that disordering of internal water networks underpins receptor sensitization. Nature communications 12 (1) (2021)
Petr Skopintsev, David Ehrenberg, Tobias Weinert, Daniel James, Rajiv Kumar Kar, Philip J M Johnson, Dmitry Ozerov, Antonia Furrer, Isabelle Martiel, Florian S N Dworkowski, Karol Nass, Gregor Knopp, Claudio Cirelli, Christopher Arrell, Dardan Gashi, Sandra Mous, Maximilian Wranik, Thomas Gruhl, Demet Kekilli, Steffen Brünle, Xavier Deupi, Gebhard F X Schertler, Roger M Benoit, Valerie Panneels, Przemyslaw Nogly, Igor Schapiro, Christopher J Milne, Joachim Heberle, Joerg Standfuss
Femtosecond-to-millisecond structural changes in a light-driven sodium pump. Nature 583 (7815) (2020)
Matthias Broser, Anika Spreen, Patrick E Konold, Enrico Schiewer, Suliman Adam, Veniamin A Borin, Igor Schapiro, Reinhard Seifert, John T M Kennis, Yinth Andrea Bernal Sierra, Peter Hegemann
NeoR, a near-infrared absorbing rhodopsin. Nature communications 11 (1) (2020)
Till Stensitzki, Suliman Adam, Ramona Schlesinger, Igor Schapiro, Karsten Heyne
Ultrafast Backbone Protonation in Channelrhodopsin-1 Captured by Polarization Resolved Fs Vis-pump-IR-Probe Spectroscopy and Computational Methods. Molecules (Basel, Switzerland) 25 (4) (2020)
Chavdar Slavov, Tobias Fischer, Avishai Barnoy, Heewhan Shin, Aditya G Rao, Christian Wiebeler, Xiaoli Zeng, Yafang Sun, Qianzhao Xu, Alexander Gutt, Kai-Hong Zhao, Wolfgang Gärtner, Xiaojing Yang, Igor Schapiro, Josef Wachtveitl
The interplay between chromophore and protein determines the extended excited state dynamics in a single-domain phytochrome. Proceedings of the National Academy of Sciences of the United States of America 117 (28) (2020)
Anastasia Kraskov, Anh Duc Nguyen, Jan Goerling, David Buhrke, Francisco Velazquez Escobar, Maria Fernandez Lopez, Norbert Michael, Luisa Sauthof, Andrea Schmidt, Patrick Piwowarski, Yang Yang, Till Stensitzki, Suliman Adam, Franz Bartl, Igor Schapiro, Karsten Heyne, Friedrich Siebert, Patrick Scheerer, Maria-Andrea Mroginski, Peter Hildebrandt
Intramolecular Proton Transfer Controls Protein Structural Changes in Phytochrome. Biochemistry 59 (9) (2020)
Megan S Lazorski, Igor Schapiro, Ross S Gaddie, Ammon P Lehnig, Mihail Atanasov, Frank Neese, Ulrich E Steiner, C Michael Elliott
Spin-chemical effects on intramolecular photoinduced charge transfer reactions in bisphenanthroline copper(i)-viologen dyad assemblies. Chemical science 11 (21) (2020)
Giovanni Battocchio, Ronald González, Aditya G Rao, Igor Schapiro, Maria-Andrea Mroginski
Dynamic Properties of the Photosensory Domain of Deinococcus radiodurans Bacteriophytochrome. The journal of physical chemistry. B 124 (9) (2020)
Xiuling Xu, Astrid Hoeppner, Christian Wiebeler, Kai-Hong Zhao, Igor Schapiro, Wolfgang Gärtner
Structural elements regulating the photochromicity in a cyanobacteriochrome. Proceedings of the National Academy of Sciences of the United States of America 117 (5) (2020)
Ignacio Fdez Galván, Morgane Vacher, Ali Alavi, Celestino Angeli, Francesco Aquilante, Jochen Autschbach, Jie J Bao, Sergey I Bokarev, Nikolay A Bogdanov, Rebecca K Carlson, Liviu F Chibotaru, Joel Creutzberg, Nike Dattani, Mickaël G Delcey, Sijia S Dong, Andreas Dreuw, Leon Freitag, Luis Manuel Frutos, Soumen Ghosh, Frédéric Gendron, Angelo Giussani, Leticia González, Gilbert Grell, Meiyuan Guo, Chad E Hoyer, Marcus Johansson, Sebastian Keller, Stefan Knecht, Goran Kovačević, Erik Källman, Giovanni Li Manni, Marcus Lundberg, Yingjin Ma, Sebastian Mai, João Pedro Malhado, Per Åke Malmqvist, Philipp Marquetand, Stefanie A Mewes, Jesper Norell, Massimo Olivucci, Markus Oppel, Quan Manh Phung, Kristine Pierloot, Felix Plasser, Markus Reiher, Andrew M Sand, Igor Schapiro, Prachi Sharma, Christopher J Stein, Lasse Kragh Sørensen, Donald G Truhlar, Mihkel Ugandi, Liviu Ungur, Alessio Valentini, Steven Vancoillie, Valera Veryazov, Oskar Weser, Tomasz Adam Wesołowski, Per-Olof Widmark, Sebastian Wouters, Alexander Zech, J Patrick Zobel, Roland Lindh
OpenMolcas: From Source Code to Insight. Journal of chemical theory and computation 15 (11) (2019)
Christian Wiebeler, Aditya G Rao, Wolfgang Gärtner, Igor Schapiro
The Effective Conjugation Length Is Responsible for the Red/Green Spectral Tuning in the Cyanobacteriochrome Slr1393g3. Angewandte Chemie (International ed. in English) 58 (7) (2019)
Christian Wiebeler, Igor Schapiro
QM/MM Benchmarking of Cyanobacteriochrome Slr1393g3 Absorption Spectra. Molecules (Basel, Switzerland) 24 (9) (2019)
Igor Schapiro, Moussa Gueye, Marco Paolino, Stefania Fusi, Gabriel Marchand, Stefan Haacke, M Elena Martín, Mark Huntress, Victor P Vysotskiy, Valera Veryazov, Jérémie Leonard, Massimo Olivucci
Synthesis, spectroscopy and QM/MM simulations of a biomimetic ultrafast light-driven molecular motor. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology 18 (9) (2019)
Leandro A Estrada, Antonio Francés-Monerris, Igor Schapiro, Massimo Olivucci, Daniel Roca-Sanjuán
Mechanism of excited state deactivation of indan-1-ylidene and fluoren-9-ylidene malononitriles. Physical chemistry chemical physics : PCCP 18 (48) (2018)
Jeremias C Zill, Zhihui He, Marcus Tank, Bryan H Ferlez, Daniel P Canniffe, Yigal Lahav, Peter Bellstedt, A Alia, Igor Schapiro, John H Golbeck, Donald A Bryant, Joerg Matysik
15N photo-CIDNP MAS NMR analysis of reaction centers of Chloracidobacterium thermophilum. Photosynthesis research 137 (2) (2018)
Przemyslaw Nogly, Tobias Weinert, Daniel James, Sergio Carbajo, Dmitry Ozerov, Antonia Furrer, Dardan Gashi, Veniamin A Borin, Petr Skopintsev, Kathrin Jaeger, Karol Nass, Petra Båth, Robert Bosman, Jason E Koglin, Matthew H Seaberg, Thomas J Lane, Demet Kekilli, Steffen Brünle, Tomoyuki Tanaka, Wenting Wu, Christopher J Milne, Thomas A White, Anton Barty, Uwe Weierstall, Valerie Panneels, Eriko Nango, So Iwata, Mark Hunter, Igor Schapiro, Gebhard F X Schertler, Richard Neutze, Joerg Standfuss
Retinal isomerization in bacteriorhodopsin captured by a femtosecond x-ray laser. Science (New York, N.Y.) 361 (6398) (2018)
Vinayak Bhat, Richard J Cogdell, Maurizio Persico, Ankona Datta, Arijit Kumar De, Stefan Haacke, John R Helliwell, Roberto Improta, Joshy Joseph, Tolga Karsili, Bern Kohler, Retheesh Krishnan, Mahil L, Frederick Lewis, Imon Mandal, Dimitra Markovitsi, Padmaja P Mishra, Sneha Paul, Ganga Periyasamy, P I Pradeepkumar, Priyadarshi Roy Chowdhury, Manas Sarangi, Devika Sasikumar, Igor Schapiro, Gebhard F X Schertler, Ilme Schlichting, Javier Segarra-Marti, Rajaram Swaminathan, Vishnu V, Rienk van Grondelle, Reji Varghese, Ravindra Venkatramani
Photocrosslinking between nucleic acids and proteins: general discussion. Faraday discussions 207 (2018)
Amitava Chandra, Richard J Cogdell, Maurizio Persico, Ankona Datta, Angelo Giussani, Stefan Haacke, John R Helliwell, Roberto Improta, Ramapurath S Jayasree, Mike Jones, Tolga Karsili, Bern Kohler, Mahil L, Imon Mandal, Dimitra Markovitsi, Himani Medhi, Padmaja P Mishra, P I Pradeepkumar, Priyadarshi Roy Chowdhury, Manas Sarangi, Igor Schapiro, Ilme Schlichting, Javier Segarra-Marti, Amit Sharma, Vishnu V, Rienk van Grondelle, Anthony Watts
Light induced damage and repair in nucleic acids and proteins: general discussion. Faraday discussions 207 (2018)
Christian Wiebeler, Veniamin Borin, Adalberto Vasconcelos Sanchez de Araújo, Igor Schapiro, Antonio Carlos Borin
Excitation Energies of Canonical Nucleobases Computed by Multiconfigurational Perturbation Theories. Photochemistry and photobiology 93 (3) (2018)
Rajiv Kumar Kar, Veniamin A Borin, Yonghong Ding, Joerg Matysik, Igor Schapiro
Spectroscopic Properties of Lumiflavin: A Quantum Chemical Study. Photochemistry and photobiology 95 (2) (2018)
Amitabha Chattopadhyay, Richard J Cogdell, Maurizio Persico, Ankona Datta, Arijit Kumar De, Stefan Haacke, Mahesh Hariharan, John R Helliwell, Ashley Hughes, Roberto Improta, Mike Jones, Joshy Joseph, Tolga Karsili, Bern Kohler, Retheesh Krishnan, Anvy Kuriakose, Mahil L, Dimitra Markovitsi, Himani Medhi, Ganga Periyasamy, P I Pradeepkumar, Priyadarshi Roy Chowdhury, Manas Sarangi, Igor Schapiro, Gebhard F X Schertler, Ilme Schlichting, Javier Segarra-Marti, Rajaram Swaminathan, Vishnu V, Rienk van Grondelle, Ravi Kumar Venkatraman, Ravindra Venkatramani, Anthony Watts
Light induced charge and energy transport in nucleic acids and proteins: general discussion. Faraday discussions 207 (2018)
Christoph Schnedermann, X Yang, Matz Liebel, K M Spillane, J Lugtenburg, I Fernández, A Valentini, Igor Schapiro, Massimo Olivucci, Philipp Kukura, Richard A Mathies
Evidence for a vibrational phase-dependent isotope effect on the photochemistry of vision. Nature chemistry 10 (4) (2018)
Revannath L Sutar, Saumik Sen, Or Eivgi, Gal Segalovich, Igor Schapiro, Ofer Reany, Norberto Gabriel Lemcoff
Guiding a divergent reaction by photochemical control: bichromatic selective access to levulinates and butenolides. Chemical science 9 (5) (2017)
Samer Gozem, Hoi Ling Luk, Igor Schapiro, Massimo Olivucci
Theory and Simulation of the Ultrafast Double-Bond Isomerization of Biological Chromophores. Chemical reviews 117 (22) (2017)