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

The Oncogenic Signaling Disruptor, NDRG1: Molecular and Cellular Mechanisms of Activity

致癌信号传导干扰因子NDRG1:分子和细胞活性机制

Chekmarev, Jason; Azad, Mahan Gholam; Richardson, Des R

Turbulence in protein folding: Vorticity, scaling and diffusion of probability flows

蛋白质折叠中的湍流:概率流的涡度、尺度和扩散

Andryushchenko, Vladimir A; Chekmarev, Sergei F

Protein folding as a complex reaction: a two-component potential for the driving force of folding and its variation with folding scenario

蛋白质折叠是一个复杂的反应:折叠驱动力的双组分势能及其随折叠情景的变化

Chekmarev, Sergei F

First passage analysis of the folding of a β-sheet miniprotein: is it more realistic than the standard equilibrium approach?

β-折叠小蛋白折叠的首次分析:它比标准平衡方法更现实吗?

Kalgin, Igor V; Chekmarev, Sergei F; Karplus, Martin

New insights into the folding of a β-sheet miniprotein in a reduced space of collective hydrogen bond variables: application to a hydrodynamic analysis of the folding flow

在集体氢键变量的简化空间中,对β折叠微蛋白的折叠有了新的认识:应用于折叠流的流体动力学分析

Kalgin, Igor V; Caflisch, Amedeo; Chekmarev, Sergei F; Karplus, Martin

Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information

在线化学建模环境(OCHEM):用于数据存储、模型开发和化学信息发布的网络平台

Sushko, Iurii; Novotarskyi, Sergii; Körner, Robert; Pandey, Anil Kumar; Rupp, Matthias; Teetz, Wolfram; Brandmaier, Stefan; Abdelaziz, Ahmed; Prokopenko, Volodymyr V; Tanchuk, Vsevolod Y; Todeschini, Roberto; Varnek, Alexandre; Marcou, Gilles; Ertl, Peter; Potemkin, Vladimir; Grishina, Maria; Gasteiger, Johann; Schwab, Christof; Baskin, Igor I; Palyulin, Vladimir A; Radchenko, Eugene V; Welsh, William J; Kholodovych, Vladyslav; Chekmarev, Dmitriy; Cherkasov, Artem; Aires-de-Sousa, Joao; Zhang, Qing-You; Bender, Andreas; Nigsch, Florian; Patiny, Luc; Williams, Antony; Tkachenko, Valery; Tetko, Igor V

Hybrid scoring and classification approaches to predict human pregnane X receptor activators

混合评分和分类方法预测人类孕烷X受体激活剂

Kortagere, Sandhya; Chekmarev, Dmitriy; Welsh, William J; Ekins, Sean

Prediction of Protein Loop Conformations using the AGBNP Implicit Solvent Model and Torsion Angle Sampling

利用AGBNP隐式溶剂模型和扭转角采样预测蛋白质环构象

Felts, Anthony K; Gallicchio, Emilio; Chekmarev, Dmitriy; Paris, Kristina A; Friesner, Richard A; Levy, Ronald M

New predictive models for blood-brain barrier permeability of drug-like molecules

药物样分子血脑屏障通透性的新预测模型

Kortagere, Sandhya; Chekmarev, Dmitriy; Welsh, William J; Ekins, Sean

Shape signatures: new descriptors for predicting cardiotoxicity in silico

形状特征:用于计算机模拟预测心脏毒性的新描述符

Chekmarev, Dmitriy S; Kholodovych, Vladyslav; Balakin, Konstantin V; Ivanenkov, Yan; Ekins, Sean; Welsh, William J