日期:
2020 年 — 2026 年
2020
2021
2022
2023
2024
2025
2026
影响因子:

New targets and procedures for validating the valence geometry of nucleic acid structures

验证核酸结构价键几何结构的新靶点和新方法

Černý, Jiří; Nicholls, Robert A; Brzezinski, Dariusz; Berman, Helen M; Gilski, Miroslaw; Joosten, Robbie P; Kowiel, Marcin; Lawson, Catherine L; Moriarty, Nigel W; Richardson, Jane S; Schneider, Bohdan; Vonrhein, Clemens; Williams, Christopher J; Jaskólski, Mariusz; Egli, Martin

Validated ligand geometries for macromolecular refinement restraints and molecular-mechanics force fields

已验证的配体几何结构,用于大分子精修约束和分子力学力场

Moriarty, Nigel W; Case, David A; Liebschner, Dorothee; Adams, Paul D

pyDiSCaMB: enabling the use of multipolar scattering factors in Phenix

pyDiSCaMB:在 Phenix 中启用多极散射因子

Femoen, Viljar J; Pacoste, Laura; Chodkiewicz, Michał Leszek; Afonine, Pavel V; Poon, Billy K; Kulik, Marta; Golon, Łukasz; Moriarty, Nigel W; Adams, Paul D; Hofer, Gerhard; Dominiak, Paulina Maria; Liebschner, Dorothee; Zou, Xiaodong

AQuaRef: machine learning accelerated quantum refinement of protein structures

AQuaRef:机器学习加速蛋白质结构的量子精修

Zubatyuk, Roman; Biczysko, Malgorzata; Ranasinghe, Kavindri; Moriarty, Nigel W; Gokcan, Hatice; Kruse, Holger; Poon, Billy K; Adams, Paul D; Waller, Mark P; Roitberg, Adrian E; Isayev, Olexandr; Afonine, Pavel V

Validated ligand geometries for macromolecular refinement restraints and molecular mechanics force fields

已验证的配体几何结构,用于大分子精修约束和分子力学力场

Moriarty, Nigel W; Case, David A; Liebschner, Dorothee; Adams, Paul D

AQuaRef: Machine learning accelerated quantum refinement of protein structures

AQuaRef:机器学习加速蛋白质结构的量子精修

Zubatyuk, Roman; Biczysko, Malgorzata; Ranasinghe, Kavindri; Moriarty, Nigel W; Gokcan, Hatice; Kruse, Holger; Poon, Billy K; Adams, Paul D; Waller, Mark P; Roitberg, Adrian E; Isayev, Olexandr; Afonine, Pavel V

Author Correction: Structural evidence for intermediates during O(2) formation in photosystem II

作者更正:光系统 II 中 O₂ 形成过程中中间体的结构证据

Bhowmick, Asmit; Hussein, Rana; Bogacz, Isabel; Simon, Philipp S; Ibrahim, Mohamed; Chatterjee, Ruchira; Doyle, Margaret D; Cheah, Mun Hon; Fransson, Thomas; Chernev, Petko; Kim, In-Sik; Makita, Hiroki; Dasgupta, Medhanjali; Kaminsky, Corey J; Zhang, Miao; Gätcke, Julia; Haupt, Stephanie; Nangca, Isabela I; Keable, Stephen M; Aydin, A Orkun; Tono, Kensuke; Owada, Shigeki; Gee, Leland B; Fuller, Franklin D; Batyuk, Alexander; Alonso-Mori, Roberto; Holton, James M; Paley, Daniel W; Moriarty, Nigel W; Mamedov, Fikret; Adams, Paul D; Brewster, Aaron S; Dobbek, Holger; Sauter, Nicholas K; Bergmann, Uwe; Zouni, Athina; Messinger, Johannes; Kern, Jan; Yano, Junko; Yachandra, Vittal K

Protonation of histidine rings using quantum-mechanical methods

利用量子力学方法研究组氨酸环的质子化

Moriarty, Nigel W; Moussa, Jonathan; Adams, Paul D

Structural evidence for intermediates during O(2) formation in photosystem II

光系统 II 中 O₂ 形成过程中中间体的结构证据

Bhowmick, Asmit; Hussein, Rana; Bogacz, Isabel; Simon, Philipp S; Ibrahim, Mohamed; Chatterjee, Ruchira; Doyle, Margaret D; Cheah, Mun Hon; Fransson, Thomas; Chernev, Petko; Kim, In-Sik; Makita, Hiroki; Dasgupta, Medhanjali; Kaminsky, Corey J; Zhang, Miao; Gätcke, Julia; Haupt, Stephanie; Nangca, Isabela I; Keable, Stephen M; Aydin, A Orkun; Tono, Kensuke; Owada, Shigeki; Gee, Leland B; Fuller, Franklin D; Batyuk, Alexander; Alonso-Mori, Roberto; Holton, James M; Paley, Daniel W; Moriarty, Nigel W; Mamedov, Fikret; Adams, Paul D; Brewster, Aaron S; Dobbek, Holger; Sauter, Nicholas K; Bergmann, Uwe; Zouni, Athina; Messinger, Johannes; Kern, Jan; Yano, Junko; Yachandra, Vittal K

In situ ligand restraints from quantum-mechanical methods

利用量子力学方法进行原位配体约束

Liebschner, Dorothee; Moriarty, Nigel W; Poon, Billy K; Adams, Paul D