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

Elucidation of multiple high-resolution states of human MutSβ by cryo-EM reveals interplay between ATP/ADP binding and heteroduplex DNA recognition.

通过冷冻电镜阐明人类 MutSβ 的多个高分辨率状态,揭示了 ATP/ADP 结合和异源双链 DNA 识别之间的相互作用

Lee Jung-Hoon, Thomsen Maren, Daub Herwin, Thieulin-Pardo Gabriel, Steinbacher Stefan, Sztyler Agnieszka, Dahiya Vinay, Neudegger Tobias, Dominguez Celia, Iyer Ravi R, Wilkinson Hilary A, Monteagudo Edith, Plotnikov Nikolay V, Felsenfeld Dan P, Haque Tasir S, Finley Michael, Boudet Julien, Vogt Thomas F, Prasad Brinda C

Computing the Free Energy Barriers for Less by Sampling with a Coarse Reference Potential while Retaining Accuracy of the Target Fine Model

通过使用粗参考势进行采样来计算自由能垒,同时保持目标精细模型的精度,从而降低计算成本

Plotnikov, Nikolay V

Exploring, refining, and validating the paradynamics QM/MM sampling

探索、改进和验证准动力学QM/MM采样

Plotnikov, Nikolay V; Warshel, Arieh

Paradynamics: an effective and reliable model for ab initio QM/MM free-energy calculations and related tasks

准动力学:一种用于从头算QM/MM自由能计算及相关任务的有效可靠模型

Plotnikov, Nikolay V; Kamerlin, Shina C L; Warshel, Arieh