Publications:

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MF-PCBA: Multifidelity High-Throughput Screening Benchmarks for Drug Discovery and Machine Learning.

Journal Of Chemical Information And Modeling

Buterez, David D; Janet, Jon Paul JP; Kiddle, Steven J SJ; Liò, Pietro P

Publication Date: 2023-04-14

Variant appearance in text: SI: S46a

PubMed Link: 37058588

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• Main text
• ci2c01569.pdf

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NMR lineshape analysis using analytical solutions of multi-state chemical exchange with applications to kinetics of host-guest systems.

Scientific Reports

Březina, Václav V; Hanyková, Lenka L; Velychkivska, Nadiia N; Hill, Jonathan P JP; Labuta, Jan J

Publication Date: 2022-10-17

Variant appearance in text: SI: S46a

PubMed Link: 36253475

Variant Present in the following documents:

• 41598_2022_20136_MOESM1_ESM.pdf

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Structural and functional characterization of NEMO cleavage by SARS-CoV-2 3CLpro.

Nature Communications

Hameedi, Mikhail A MA; T Prates, Erica E; Garvin, Michael R MR; Mathews, Irimpan I II; Amos, B Kirtley BK; Demerdash, Omar O; Bechthold, Mark M; Iyer, Mamta M; Rahighi, Simin S; Kneller, Daniel W DW; Kovalevsky, Andrey A; Irle, Stephan S; Vuong, Van-Quan VQ; Mitchell, Julie C JC; Labbe, Audrey A; Galanie, Stephanie S; Wakatsuki, Soichi S; Jacobson, Daniel D

Publication Date: 2022-09-08

Variant appearance in text: SI: S46A

PubMed Link: 36075915

Variant Present in the following documents:

• 41467_2022_32922_MOESM2_ESM.pdf

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Highlighting the Anti-Synergy between Adsorption and Diffusion in Cation-Exchanged Faujasite Zeolites.

Acs Omega

Krishna, Rajamani R; van Baten, Jasper M JM

Publication Date: 2022-04-19

Variant appearance in text: SI: S46a

PubMed Link: 35474830

Variant Present in the following documents:

• ao2c00427_si_001.pdf

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Substrate Recognition by the Peptidyl-(S)-2-mercaptoglycine Synthase TglHI during 3-Thiaglutamate Biosynthesis.

Acs Chemical Biology

McLaughlin, Martin I MI; Yu, Yue Y; van der Donk, Wilfred A WA

Publication Date: 2022-04-15

Variant appearance in text: SI: s46a

PubMed Link: 35362960

Variant Present in the following documents:

• cb2c00087_si_001.pdf

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Proceedings to the 2020 Online Conference of the Particle Therapy Cooperative Group (PTCOG2020Online): 13-14 September 2020Organized by the Particle Therapy Cooperative Group (PTCOG), this special online meeting featured abstracts and programs that enabled the communication and cross fertilization for which PTCOG meetings are known.

International Journal Of Particle Therapy

Publication Date: 2021

Variant appearance in text: SI: s46a

PubMed Link: 33829075

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Collective predator evasion: Putting the criticality hypothesis to the test.

Plos Computational Biology

Klamser, Pascal P PP; Romanczuk, Pawel P

Publication Date: 2021-03

Variant appearance in text: SI: S46a

PubMed Link: 33720926

Variant Present in the following documents:

• pcbi.1008832.s001.pdf

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From Wuhan to COVID-19 Pandemic: An Up-to-Date Review of Its Pathogenesis, Potential Therapeutics, and Recent Advances.

Microorganisms

Zeouk, Ikrame I; Bekhti, Khadija K; Lorenzo-Morales, Jacob J

Publication Date: 2020-06-04

Variant appearance in text: SI: Ser46Ala

PubMed Link: 32512950

Variant Present in the following documents:

• Main text
• microorganisms-08-00850.pdf

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SLIM: A Short-Linked, Highly Redox-Stable Trityl Label for High-Sensitivity In-Cell EPR Distance Measurements.

Angewandte Chemie (International Ed. In English)

Fleck, Nico N; Heubach, Caspar A CA; Hett, Tobias T; Haege, Florian R FR; Bawol, Pawel P PP; Baltruschat, Helmut H; Schiemann, Olav O

Publication Date: 2020-06-08

Variant appearance in text: SI: S46a

PubMed Link: 32329172

Variant Present in the following documents:

• ANIE-59-9767-s001.pdf

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Nonribosomal Peptide Extension by a Peptide Amino-Acyl tRNA Ligase.

Journal Of The American Chemical Society

Zhang, Zhengan Z; van der Donk, Wilfred A WA

Publication Date: 2019-12-18

Variant appearance in text: SI: S46A

PubMed Link: 31751505

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Splicing variation of Long-IRBIT determines the target selectivity of IRBIT family proteins.

Proceedings Of The National Academy Of Sciences Of The United States Of America

Kawaai, Katsuhiro K; Ando, Hideaki H; Satoh, Nobuhiko N; Yamada, Hideomi H; Ogawa, Naoko N; Hirose, Matsumi M; Mizutani, Akihiro A; Bonneau, Benjamin B; Seki, George G; Mikoshiba, Katsuhiko K

Publication Date: 2017-04-11

Variant appearance in text: SI: S46A

PubMed Link: 28348216

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A model for brain life history evolution.

Plos Computational Biology

González-Forero, Mauricio M; Faulwasser, Timm T; Lehmann, Laurent L

Publication Date: 2017-03

Variant appearance in text: SI: S46a

PubMed Link: 28278153

Variant Present in the following documents:

• pcbi.1005380.s001.pdf

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Differential radial capillary action of ligand assay for high-throughput detection of protein-metabolite interactions.

Proceedings Of The National Academy Of Sciences Of The United States Of America

Roelofs, Kevin G KG; Wang, Jingxin J; Sintim, Herman O HO; Lee, Vincent T VT

Publication Date: 2011-09-13

Variant appearance in text: SI: S46A

PubMed Link: 21876132

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