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41


Journal Article
Journal of chemical theory and computation, 17 (2021) 11, S. 7281 - 7289
“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”
Get full text  Published on 2021-10-18. Available in OpenAccess from 2022-10-18. 
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42


Journal Article
Science advances, 7 (2021) 37, S. eabg4298
“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”
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43


Journal Article
Journal of chemical theory and computation, 17 (2021) 7, S. 4599–4613
“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”
Get full text  Published on 2021-06-23. Available in OpenAccess from 2022-06-23. 
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44


Journal Article
Biological chemistry, 402 (2021) 9, S. 1047-1062
“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”
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45


Journal Article
Nature Communications, 12 (2021) 1, S. 5254
“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”
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46


Journal Article
Structure, 29 (2021) 10, S. 1144-1155.e5
“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”
Published on 2021-06-08. Available in OpenAccess from 2022-06-08. 
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47


Journal Article
Proceedings of the National Academy of Sciences of the United States of America, 118 (2021) 30, S. e2100469118
“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”
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48


Journal Article
Computational and structural biotechnology journal, 19 (2021) S. 4248-4264
“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”
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49


Journal Article
The journal of chemical physics, 154 (2021) 10, S. 109901 -
“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”
Published on 2021-03-10. Available in OpenAccess from 2022-03-10.  Published on 2021-03-10. Available in OpenAccess from 2022-03-10. 
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50


Journal Article
Computational and structural biotechnology journal, 19 (2021) S. 743-751
“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”
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51


Journal Article
Viruses, 13 (2021) 3, S. 504
“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”
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52


Journal Article
Journal of chemical information and modeling, 61 (2021) 11, S. 5626–5643
“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”
Get full text  Published on 2021-11-08. Available in OpenAccess from 2022-11-08. 
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53


Journal Article
Biological chemistry, 402 (2021) 3, S. 317–331
“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”
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54


Journal Article
Chemical research in toxicology, 34 (2021) 6, S. 1503–1517
“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”
Restricted  Published on 2021-04-26. Available in OpenAccess from 2022-04-26. 
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55


Journal Article
Journal of chemical information and modeling, 61 (2021) 2, S. 548–553
“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”
Published on 2021-01-19. Available in OpenAccess from 2022-01-19.  Restricted 
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56


Journal Article
Biological chemistry, 402 (2021) 9, S. 1063-1072
“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”
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57


Journal Article
Journal of chemical information and modeling, 61 (2021) 5, S. 2383 - 2395
“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”
Get full text  Published on 2021-05-05. Available in OpenAccess from 2022-05-05. 
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58


Journal Article
Biological chemistry, 402 (2021) 9, S. 1033-1045
“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”
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59


Journal Article
Journal of chemical theory and computation, 16 (2020) 3, S. 1953-1967
“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”
Published on 2020-01-22. Available in OpenAccess from 2021-01-22.  Restricted  Restricted  Published on 2020-01-22. Available in OpenAccess from 2021-01-22.  Restricted  Restricted  Restricted  Restricted 
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60


Journal Article
Journal of chemical theory and computation, 16 (2020) 7, S. 4694–4705
“...Jülich Supercomputing Center; JSC Jülich Supercomputing Center...”
Get full text  Published on 2020-06-17. Available in OpenAccess from 2021-06-17.  Published on 2020-06-17. Available in OpenAccess from 2021-06-17.  Get full text 
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Forschergruppe Gohlke 106 Computational Science and Mathematical Methods 66 Domain-Specific Simulation & Data Life Cycle Labs (SDLs) and Research Groups 57 Biological and environmental resources for sustainable use 47 Utilization of renewable carbon and energy sources and engineering of ecosystem functions 24 Molecular Information Processing in Cellular Systems 22 more ...