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1
Skipping the Replica Exchange Ladder with Normalizing Flows:
Michele Invernizzi (6426200) ; Andreas Krämer (3286917) ; Cecilia Clementi (652105).
https://figshare.com/articles/journal_contribution/Skipping_the_Replica_Exchange_Ladder_with_Normalizing_Flows/21702655. , 2022
https://figshare.com/articles/journal_contribution/Skipping_the_Replica_Exchange_Ladder_with_Normalizing_Flows/21702655. , 2022
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2
Skipping the Replica Exchange Ladder with Normalizing Flows:
Michele Invernizzi (6426200) ; Andreas Krämer (3286917) ; Cecilia Clementi (652105).
https://figshare.com/articles/journal_contribution/Skipping_the_Replica_Exchange_Ladder_with_Normalizing_Flows/21702652. , 2022
https://figshare.com/articles/journal_contribution/Skipping_the_Replica_Exchange_Ladder_with_Normalizing_Flows/21702652. , 2022
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3
TorchMD: A Deep Learning Framework for Molecular Simulation:
Stefan Doerr (4332823) ; Maciej Majewski (8502201) ; Adrià Pérez (6588584)...
https://figshare.com/articles/journal_contribution/TorchMD_A_Deep_Learning_Framework_for_Molecular_Simulations/14233147. , 2021
https://figshare.com/articles/journal_contribution/TorchMD_A_Deep_Learning_Framework_for_Molecular_Simulations/14233147. , 2021
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4
CHARMM36 Lipid Force Field with Explicit Treatment of Long-..:
Yalun Yu (9155492) ; Andreas Krämer (3286917) ; Richard M. Venable (1310292)...
https://figshare.com/articles/journal_contribution/CHARMM36_Lipid_Force_Field_with_Explicit_Treatment_of_Long-Range_Dispersion_Parametrization_and_Validation_for_Phosphatidylethanolamine_Phosphatidylglycerol_and_Ether_Lipids/14096412. , 2021
https://figshare.com/articles/journal_contribution/CHARMM36_Lipid_Force_Field_with_Explicit_Treatment_of_Long-Range_Dispersion_Parametrization_and_Validation_for_Phosphatidylethanolamine_Phosphatidylglycerol_and_Ether_Lipids/14096412. , 2021
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5
Design, Synthesis, and Evaluation of WD-Repeat-Containing P..:
Anja Dölle (10794992) ; Bikash Adhikari (704191) ; Andreas Krämer (3286917)...
https://figshare.com/articles/dataset/Design_Synthesis_and_Evaluation_of_WD-Repeat-Containing_Protein_5_WDR5_Degraders/14587301. , 2021
https://figshare.com/articles/dataset/Design_Synthesis_and_Evaluation_of_WD-Repeat-Containing_Protein_5_WDR5_Degraders/14587301. , 2021
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6
Design, Synthesis, and Evaluation of WD-Repeat-Containing P..:
Anja Dölle (10794992) ; Bikash Adhikari (704191) ; Andreas Krämer (3286917)...
https://figshare.com/articles/dataset/Design_Synthesis_and_Evaluation_of_WD-Repeat-Containing_Protein_5_WDR5_Degraders/14587304. , 2021
https://figshare.com/articles/dataset/Design_Synthesis_and_Evaluation_of_WD-Repeat-Containing_Protein_5_WDR5_Degraders/14587304. , 2021
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7
Semi-automated Optimization of the CHARMM36 Lipid Force Fie..:
Yalun Yu (9155492) ; Andreas Krämer (3286917) ; Richard M. Venable (1310292)...
https://figshare.com/articles/journal_contribution/Semi-automated_Optimization_of_the_CHARMM36_Lipid_Force_Field_to_Include_Explicit_Treatment_of_Long-Range_Dispersion/14096372. , 2021
https://figshare.com/articles/journal_contribution/Semi-automated_Optimization_of_the_CHARMM36_Lipid_Force_Field_to_Include_Explicit_Treatment_of_Long-Range_Dispersion/14096372. , 2021
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8
Design, Synthesis, and Evaluation of WD-Repeat-Containing P..:
Anja Dölle (10794992) ; Bikash Adhikari (704191) ; Andreas Krämer (3286917)...
https://figshare.com/articles/journal_contribution/Design_Synthesis_and_Evaluation_of_WD-Repeat-Containing_Protein_5_WDR5_Degraders/14587298. , 2021
https://figshare.com/articles/journal_contribution/Design_Synthesis_and_Evaluation_of_WD-Repeat-Containing_Protein_5_WDR5_Degraders/14587298. , 2021
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9
MSC-1186, a Highly Selective Pan-SRPK Inhibitor Based on an..:
Martin Schröder (1300113) ; Matthias Leiendecker (2114281) ; Ulrich Grädler (1992397)...
https://figshare.com/articles/journal_contribution/MSC-1186_a_Highly_Selective_Pan-SRPK_Inhibitor_Based_on_an_Exceptionally_Decorated_Benzimidazole-Pyrimidine_Core/21728006. , 1753
https://figshare.com/articles/journal_contribution/MSC-1186_a_Highly_Selective_Pan-SRPK_Inhibitor_Based_on_an_Exceptionally_Decorated_Benzimidazole-Pyrimidine_Core/21728006. , 1753
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10
MSC-1186, a Highly Selective Pan-SRPK Inhibitor Based on an..:
Martin Schröder (1300113) ; Matthias Leiendecker (2114281) ; Ulrich Grädler (1992397)...
https://figshare.com/articles/dataset/MSC-1186_a_Highly_Selective_Pan-SRPK_Inhibitor_Based_on_an_Exceptionally_Decorated_Benzimidazole-Pyrimidine_Core/21728009. , 1753
https://figshare.com/articles/dataset/MSC-1186_a_Highly_Selective_Pan-SRPK_Inhibitor_Based_on_an_Exceptionally_Decorated_Benzimidazole-Pyrimidine_Core/21728009. , 1753
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11
MSC-1186, a Highly Selective Pan-SRPK Inhibitor Based on an..:
Martin Schröder (1300113) ; Matthias Leiendecker (2114281) ; Ulrich Grädler (1992397)...
https://figshare.com/articles/dataset/MSC-1186_a_Highly_Selective_Pan-SRPK_Inhibitor_Based_on_an_Exceptionally_Decorated_Benzimidazole-Pyrimidine_Core/21728012. , 1753
https://figshare.com/articles/dataset/MSC-1186_a_Highly_Selective_Pan-SRPK_Inhibitor_Based_on_an_Exceptionally_Decorated_Benzimidazole-Pyrimidine_Core/21728012. , 1753