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Table representation of search results timeline featuring number of search results per year.

Year Number of Results
2011 1
2012 3
2013 3
2014 3
2015 7
2016 7
2017 8
2018 4
2019 3
2020 9
2021 5
2022 2
2023 4
2024 0

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56 results

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Page 1
Frontiers in Multiscale Modeling of Photoreceptor Proteins.
Mroginski MA, Adam S, Amoyal GS, Barnoy A, Bondar AN, Borin VA, Church JR, Domratcheva T, Ensing B, Fanelli F, Ferré N, Filiba O, Pedraza-González L, González R, González-Espinoza CE, Kar RK, Kemmler L, Kim SS, Kongsted J, Krylov AI, Lahav Y, Lazaratos M, NasserEddin Q, Navizet I, Nemukhin A, Olivucci M, Olsen JMH, Pérez de Alba Ortíz A, Pieri E, Rao AG, Rhee YM, Ricardi N, Sen S, Solov'yov IA, De Vico L, Wesolowski TA, Wiebeler C, Yang X, Schapiro I. Mroginski MA, et al. Among authors: olsen jmh. Photochem Photobiol. 2021 Mar;97(2):243-269. doi: 10.1111/php.13372. Epub 2021 Feb 13. Photochem Photobiol. 2021. PMID: 33369749 Free PMC article. Review.
Polarizable Embedding without Artificial Boundary Polarization.
Kvedaravičiūtė S, Carrasco-Busturia D, Møller KB, Olsen JMH. Kvedaravičiūtė S, et al. Among authors: olsen jmh. J Chem Theory Comput. 2023 Aug 8;19(15):5122-5141. doi: 10.1021/acs.jctc.3c00434. Epub 2023 Jul 17. J Chem Theory Comput. 2023. PMID: 37458793
MiMiCPy: An Efficient Toolkit for MiMiC-Based QM/MM Simulations.
Raghavan B, Schackert FK, Levy A, Johnson SK, Ippoliti E, Mandelli D, Olsen JMH, Rothlisberger U, Carloni P. Raghavan B, et al. Among authors: olsen jmh. J Chem Inf Model. 2023 Mar 13;63(5):1406-1412. doi: 10.1021/acs.jcim.2c01620. Epub 2023 Feb 22. J Chem Inf Model. 2023. PMID: 36811959 Free PMC article.
The DIRAC code for relativistic molecular calculations.
Saue T, Bast R, Gomes ASP, Jensen HJA, Visscher L, Aucar IA, Di Remigio R, Dyall KG, Eliav E, Fasshauer E, Fleig T, Halbert L, Hedegård ED, Helmich-Paris B, Iliaš M, Jacob CR, Knecht S, Laerdahl JK, Vidal ML, Nayak MK, Olejniczak M, Olsen JMH, Pernpointner M, Senjean B, Shee A, Sunaga A, van Stralen JNP. Saue T, et al. Among authors: olsen jmh. J Chem Phys. 2020 May 29;152(20):204104. doi: 10.1063/5.0004844. J Chem Phys. 2020. PMID: 32486677
Relativistic Polarizable Embedding.
Hedegård ED, Bast R, Kongsted J, Olsen JMH, Jensen HJA. Hedegård ED, et al. Among authors: olsen jmh. J Chem Theory Comput. 2017 Jun 13;13(6):2870-2880. doi: 10.1021/acs.jctc.7b00162. Epub 2017 May 30. J Chem Theory Comput. 2017. PMID: 28493714
Molecular Basis of CLC Antiporter Inhibition by Fluoride.
Chiariello MG, Bolnykh V, Ippoliti E, Meloni S, Olsen JMH, Beck T, Rothlisberger U, Fahlke C, Carloni P. Chiariello MG, et al. Among authors: olsen jmh. J Am Chem Soc. 2020 Apr 22;142(16):7254-7258. doi: 10.1021/jacs.9b13588. Epub 2020 Apr 9. J Am Chem Soc. 2020. PMID: 32233472
Wavefunction-Based Electrostatic-Embedding QM/MM Using CFOUR through MiMiC.
Kirsch T, Olsen JMH, Bolnykh V, Meloni S, Ippoliti E, Rothlisberger U, Cascella M, Gauss J. Kirsch T, et al. Among authors: olsen jmh. J Chem Theory Comput. 2022 Jan 11;18(1):13-24. doi: 10.1021/acs.jctc.1c00878. Epub 2021 Dec 14. J Chem Theory Comput. 2022. PMID: 34905353
MiMiC: Multiscale Modeling in Computational Chemistry.
Bolnykh V, Olsen JMH, Meloni S, Bircher MP, Ippoliti E, Carloni P, Rothlisberger U. Bolnykh V, et al. Among authors: olsen jmh. Front Mol Biosci. 2020 Mar 20;7:45. doi: 10.3389/fmolb.2020.00045. eCollection 2020. Front Mol Biosci. 2020. PMID: 32266290 Free PMC article. No abstract available.
Induction effects on the absorption maxima of photoreceptor proteins.
Church JR, Olsen JMH, Schapiro I. Church JR, et al. Among authors: olsen jmh. Biophys Physicobiol. 2023 Jan 24;20(Supplemental):e201007. doi: 10.2142/biophysico.bppb-v20.s007. eCollection 2023 Mar 21. Biophys Physicobiol. 2023. PMID: 38362325 Free PMC article.
Extreme Scalability of DFT-Based QM/MM MD Simulations Using MiMiC.
Bolnykh V, Olsen JMH, Meloni S, Bircher MP, Ippoliti E, Carloni P, Rothlisberger U. Bolnykh V, et al. Among authors: olsen jmh. J Chem Theory Comput. 2019 Oct 8;15(10):5601-5613. doi: 10.1021/acs.jctc.9b00424. Epub 2019 Sep 25. J Chem Theory Comput. 2019. PMID: 31498615
56 results