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

A Computationally Designed Prefusion Stabilized Human Metapneumovirus Fusion Protein Vaccine Antigen Elicited a Potent Neutralization Response.

经计算机设计的预融合稳定化人偏肺病毒融合蛋白疫苗抗原引发了强效的中和反应

Kishko Michael, Stuebler Antonia, Sasmal Sukanya, Chan Yvonne, Huang Dean, Reyes Christopher, Lin Jasmine, Price Owen, Kume Ana, Zong Katie, Bricault Christine, Alamares-Sapuay Judith, Zhang Linong

Configurational Entropy of Folded Proteins and Its Importance for Intrinsically Disordered Proteins

折叠蛋白的构象熵及其对固有无序蛋白的重要性

Liu, Meili; Das, Akshaya K; Lincoff, James; Sasmal, Sukanya; Cheng, Sara Y; Vernon, Robert M; Forman-Kay, Julie D; Head-Gordon, Teresa

Sampling Conformational Changes of Bound Ligands Using Nonequilibrium Candidate Monte Carlo and Molecular Dynamics

利用非平衡候选蒙特卡罗方法和分子动力学方法对结合配体的构象变化进行采样

Sasmal, Sukanya; Gill, Samuel C; Lim, Nathan M; Mobley, David L

D3R Grand Challenge 4: ligand similarity and MM-GBSA-based pose prediction and affinity ranking for BACE-1 inhibitors

D3R 第四届挑战赛:基于配体相似性和 MM-GBSA 的 BACE-1 抑制剂构象预测和亲和力排序

Sasmal, Sukanya; El Khoury, Léa; Mobley, David L

The combined force field-sampling problem in simulations of disordered amyloid-β peptides

无序淀粉样β肽模拟中的力场-采样联合问题

Lincoff, James; Sasmal, Sukanya; Head-Gordon, Teresa

Comparison of affinity ranking using AutoDock-GPU and MM-GBSA scores for BACE-1 inhibitors in the D3R Grand Challenge 4

在D3R Grand Challenge 4中,使用AutoDock-GPU和MM-GBSA评分对BACE-1抑制剂的亲和力排序进行比较

El Khoury, Léa; Santos-Martins, Diogo; Sasmal, Sukanya; Eberhardt, Jérôme; Bianco, Giulia; Ambrosio, Francesca Alessandra; Solis-Vasquez, Leonardo; Koch, Andreas; Forli, Stefano; Mobley, David L

Effect of a Paramagnetic Spin Label on the Intrinsically Disordered Peptide Ensemble of Amyloid-β

顺磁性自旋标记对β-淀粉样蛋白固有无序肽集合体的影响

Sasmal, Sukanya; Lincoff, James; Head-Gordon, Teresa

Comparing generalized ensemble methods for sampling of systems with many degrees of freedom

比较用于多自由度系统采样的广义集成方法

Lincoff, James; Sasmal, Sukanya; Head-Gordon, Teresa