Zobrazeno 1 - 10
of 77
pro vyhledávání: '"Arjan van der Vaart"'
Autor:
Paul B. Orndorff, Souvik Poddar, Aerial M. Owens, Nikita Kumari, Bryan T. Ugaz, Samrat Amin, Wade D. Van Horn, Arjan van der Vaart, Marcia Levitus
Publikováno v:
Scientific Reports, Vol 13, Iss 1, Pp 1-14 (2023)
Abstract Uracil DNA-glycosylase (UNG) is a DNA repair enzyme that removes the highly mutagenic uracil lesion from DNA using a base flipping mechanism. Although this enzyme has evolved to remove uracil from diverse sequence contexts, UNG excision effi
Externí odkaz:
https://doaj.org/article/d901f8cbb7c745719150e7b634cf7a2a
Autor:
Ashleigh B. Bachman, Dimitra Keramisanou, Wanping Xu, Kristin Beebe, Michael A. Moses, M. V. Vasantha Kumar, Geoffrey Gray, Radwan Ebna Noor, Arjan van der Vaart, Len Neckers, Ioannis Gelis
Publikováno v:
Nature Communications, Vol 9, Iss 1, Pp 1-14 (2018)
The Hsp90 chaperone cycle is influenced by multiple phosphorylation events but their regulatory functions are poorly understood. Here, the authors show that phosphorylation and unfolding of cochaperone Cdc37 tailors the Hsp90 chaperone cycle by recru
Externí odkaz:
https://doaj.org/article/1ad30120ac2049d29abb8f3ab36b01ec
Conformational Free-Energy Differences of Large Solvated Systems with the Focused Confinement Method
Publikováno v:
Journal of Chemical Theory and Computation. 16:5163-5173
The focused confinement method (FCM) is a reaction coordinate-free simulation approach for the calculation of conformational free-energy differences in explicit solvent. The method uses reference states for the conformations of interest, partitions t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7f0c22f54f8d7bd1ac98ac8a8055141e
https://doi.org/10.1021/acs.jctc.0c00403
https://doi.org/10.1021/acs.jctc.0c00403
Autor:
Souvik Poddar, Aerial M. Pratt, Paul B. Orndorff, Arjan van der Vaart, Wade D. Van Horn, Marcia Levitus
Publikováno v:
Biophysical Journal. 122:149a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::db5cfeb7b2c3ceada6953f708778cda9
https://doi.org/10.1016/j.bpj.2022.11.1004
https://doi.org/10.1016/j.bpj.2022.11.1004
Publikováno v:
Journal of Chemical Theory and Computation. 15:6760-6768
We introduce the focused confinement method, a reaction coordinate-free simulation approach for the calculation of conformational free energies. These are obtained in a series of restrained simulations that transform part of the molecule of interest
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e31e7b564ea2611b786608b44e1931b9
https://doi.org/10.1021/acs.jctc.9b00590
https://doi.org/10.1021/acs.jctc.9b00590
Autor:
Geoffrey M. Gray, Mengmeng Zheng, Lukasz Wojtas, Jianfeng Cai, Sylvia Singh, Peng Teng, Arjan van der Vaart, Xiaopeng Li
Publikováno v:
Angew Chem Int Ed Engl
Peptide-mediated self-assembly is a prevalent method for creating highly ordered supramolecular architectures. Herein, we report the first example of orthogonal C–X∙∙∙X–C/C-X∙∙∙π halogen bonding and hydrogen bonding driven crystallin
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::190b6f361eabcb7739da8eda2c47d53e
https://doi.org/10.1002/anie.201903259
https://doi.org/10.1002/anie.201903259
Publikováno v:
Biophysical Chemistry. 284:106783
Spider dragline silk has highly desirable material properties, possessing high extensibility, strength, and biocompatibility. Before it is spun, the constituent proteins are stored in a concentrated dope that is void of fibrils. To investigate the st
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::443981c24e2fb38163ebd610f82b0d78
https://doi.org/10.1016/j.bpc.2022.106783
https://doi.org/10.1016/j.bpc.2022.106783
Autor:
Arjan van der Vaart, Chunpu Li, Alekhya Nimmagadda, Yan Wang, Geoffrey M. Gray, Peng Teng, Peng Sang, Yan Shi, Qi Li, Sridevi Challa, Fengyu She, Jianfeng Cai, Timothy Odom
Publikováno v:
Journal of Medicinal Chemistry. 60:9290-9298
Identification of molecular ligands that recognize peptides or proteins is significant but poses a fundamental challenge in chemical biology and biomedical sciences. Development of cyclic peptidomimetic library is scarce, and thus discovery of cyclic
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b727287b71245a10a2f8c07246456685
https://doi.org/10.1021/acs.jmedchem.7b01280
https://doi.org/10.1021/acs.jmedchem.7b01280