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

Expanding the Palette of Molecular Fragments for Small Molecule De Novo Design Through Isosteric Swapping

通过等排交换扩展小分子从头设计的分子片段库

Pak, Steven; Rizzo, Robert C

Fragment and torsion biasing algorithms for construction of small organic molecules in proteins using DOCK

利用DOCK技术构建蛋白质中小有机分子的片段和扭转偏置算法

Bickel, John D; Boysan, Brock T; Rizzo, Robert C

A Small Molecule Agonist of Krüppel-Like Factor 15 in Proteinuric Kidney Disease

蛋白尿性肾病中 Krüppel 样因子 15 的小分子激动剂

Guo, Yiqing; Gujarati, Nehaben A; Chow, Andrew K; Boysan, Brock T; Bronstein, Robert; He, John C; Revelo, Monica P; Pabla, Navjot; Rizzo, Robert C; Das, Bhaskar; Mallipattu, Sandeep K

Mutations in Mig6 reduce inhibition of the epidermal growth factor receptor.

Mig6 基因突变会降低表皮生长因子受体的抑制作用

Hayashi Samantha Y, Pak Steven, Torlentino Antonio, Rizzo Robert C, Miller W Todd

Rapid Rescoring and Refinement of Ligand-Receptor Complexes Using Replica Exchange Molecular Dynamics with a Monte Carlo Pose Reservoir

利用蒙特卡罗姿态库的副本交换分子动力学方法快速重评分和优化配体-受体复合物

Alcantara, Juan; Chiu, Kelley; Bickel, John D; Rizzo, Robert C; Simmerling, Carlos

Descriptor-Driven de Novo Design Algorithms for DOCK6 Using RDKit

基于描述符的DOCK6从头设计算法(使用RDKit)

Duarte Ramos Matos, Guilherme; Pak, Steven; Rizzo, Robert C

Free Energy Landscapes from SARS-CoV-2 Spike Glycoprotein Simulations Suggest that RBD Opening Can Be Modulated via Interactions in an Allosteric Pocket

SARS-CoV-2刺突糖蛋白模拟得到的自由能景观表明,RBD的开放可以通过变构口袋中的相互作用进行调节。

Fallon, Lucy; Belfon, Kellon A A; Raguette, Lauren; Wang, Yuzhang; Stepanenko, Darya; Cuomo, Abbigayle; Guerra, Jose; Budhan, Stephanie; Varghese, Sarah; Corbo, Christopher P; Rizzo, Robert C; Simmerling, Carlos

Identification of Zika Virus Inhibitors Using Homology Modeling and Similarity-Based Screening to Target Glycoprotein E

利用同源建模和基于相似性的筛选方法鉴定靶向糖蛋白E的寨卡病毒抑制剂

Telehany, Stephen M; Humby, Monica S; McGee, T Dwight Jr; Riley, Sean P; Jacobs, Amy; Rizzo, Robert C

Identification of Fatty Acid Binding Protein 5 Inhibitors Through Similarity-Based Screening

通过基于相似性的筛选鉴定脂肪酸结合蛋白5抑制剂

Zhou, Yuchen; Elmes, Matthew W; Sweeney, Joseph M; Joseph, Olivia M; Che, Joyce; Hsu, Hao-Chi; Li, Huilin; Deutsch, Dale G; Ojima, Iwao; Kaczocha, Martin; Rizzo, Robert C

Incarvillateine produces antinociceptive and motor suppressive effects via adenosine receptor activation

因卡维拉汀通过激活腺苷受体产生镇痛和运动抑制作用。

Kim, Jinwoo; Bogdan, Diane M; Elmes, Matthew W; Awwa, Monaf; Yan, Su; Che, Joyce; Lee, Garam; Deutsch, Dale G; Rizzo, Robert C; Kaczocha, Martin; Ojima, Iwao