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Journal of computational chemistry, ISSN 0192-8651, 07/2017, Volume 38, Issue 18, pp. 1612 - 1621
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Computer physics communications, ISSN 0010-4655, 2020
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Biochimica et biophysica acta. General subjects, ISSN 0304-4165, 05/2015, Volume 1850, Issue 5, pp. 954 - 965
Mean field approximation | Averaging potential | QM/MM free energy calculation | Multiscale modeling | Reference potential | Biochemistry & Molecular Biology | Biophysics | Life Sciences & Biomedicine | Science & Technology | Protein Unfolding | Ethylene Dichlorides - chemistry | Structure-Activity Relationship | Chlorides - chemistry | Protein Folding | Thermodynamics | Reference Standards | Methyl Chloride - chemistry | Molecular Dynamics Simulation - standards | Surface Properties | Protein Conformation | Hydrolases - chemistry | Energy Transfer | Kinetics | Protein Stability | Proteins - chemistry | Uracil - chemistry
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Frontiers in chemistry, ISSN 2296-2646, 04/2018, Volume 6, Issue APR, pp. 89 - 89
Additive QM/MM | Sulfite oxidase | Subtractive QM/MM | QM/MM | Electrostatic embedding | Mechanical embedding | Haem oxygenase | Molecular mechanics | Mechanical properties | Mitochondria | Analysis | Quantum theory | Chemical Sciences | Naturvetenskap | Kemi | Theoretical Chemistry | Natural Sciences | Teoretisk kemi | haem oxygenase | electrostatic embedding | additive QM/MM | sulfite oxidase | mechanical embedding
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Chemphyschem, ISSN 1439-4235, 07/2018, Volume 19, Issue 13, pp. 1550 - 1550
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Journal of organometallic chemistry, ISSN 0022-328X, 07/2020, Volume 919, p. 121333
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The journal of physical chemistry letters, ISSN 1948-7185, 05/2018, Volume 9, Issue 9, pp. 2373 - 2379
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ACS catalysis, ISSN 2155-5435, 11/2020, Volume 10, Issue 22, pp. 13314 - 13322
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International journal of quantum chemistry, ISSN 0020-7608, 05/2018, Volume 118, Issue 9, pp. e25558 - n/a
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ACS catalysis, ISSN 2155-5435, 2019, Volume 9, Issue 4, pp. 2916 - 2921
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Angewandte Chemie (International ed.), ISSN 1433-7851, 02/2009, Volume 48, Issue 7, pp. 1198 - 1229
QM/MM calculations | enzyme catalysis | theoretical chemistry | molecular simulations | Theoretical chemistry | Enzyme catalysis | Molecular simulations | Physical Sciences | Chemistry | Chemistry, Multidisciplinary | Science & Technology | Enzymes - chemistry | Quantum Theory | Biocatalysis | Models, Biological | Computer Simulation | Index Medicus
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