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

The Untangle Challenge for accurate ensemble models

精确集成模型的解缠挑战

Hopkins, Mehagan S; Terwilliger, Thomas C; Afonine, Pavel V; Ginn, Helen M; Holton, James M

Variable Resolution Maps (VRM) in CCTBX and Phenix: Accounting For Local Resolution In cryoEM

CCTBX 和 Phenix 中的可变分辨率图 (VRM):考虑冷冻电镜中的局部分辨率

Afonine, Pavel V; Adams, Paul D; Urzhumtsev, Alexandre G

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

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

Accounting for nonuniformity of bulk-solvent: A mosaic model

考虑本体溶剂的不均匀性:马赛克模型

Afonine, Pavel V; Adams, Paul D; Sobolev, Oleg V; Urzhumtsev, Alexandre G

Universal parameters of bulk-solvent masks

本体溶剂掩模的通用参数

Urzhumtsev, Alexandre; Adams, Paul; Afonine, Pavel

Accelerating crystal structure determination with iterative AlphaFold prediction

利用迭代 AlphaFold 预测加速晶体结构测定

Terwilliger, Thomas C; Afonine, Pavel V; Liebschner, Dorothee; Croll, Tristan I; McCoy, Airlie J; Oeffner, Robert D; Williams, Christopher J; Poon, Billy K; Richardson, Jane S; Read, Randy J; Adams, Paul D

Bulk-solvent and overall scaling revisited: faster calculations, improved results. Corrigendum

重新审视本体溶剂和整体尺度效应:更快的计算速度,更优的结果。勘误表

Afonine, P V; Grosse-Kunstleve, R W; Adams, P D; Urzhumtsev, A

Overall protein structure quality assessment using hydrogen-bonding parameters

利用氢键参数进行蛋白质整体结构质量评估

Afonine, Pavel V; Sobolev, Oleg V; Moriarty, Nigel W; Terwilliger, Thomas C; Adams, Paul D