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

Bias in the AlphaFold3 prediction of ligand-induced domain motion in enzymes

AlphaFold3对酶中配体诱导结构域运动预测的偏差

Yu, Hao; Bekar-Cesaretli, Ayse A; Lazou, Maria; Kozakov, Dima; Joseph-McCarthy, Diane; Vajda, Sandor

Modeling Protein-Protein and Protein-Ligand Interactions by the ClusPro Team in CASP16

ClusPro团队在CASP16中对蛋白质-蛋白质和蛋白质-配体相互作用进行了建模

Ashizawa, Ryota; Kotelnikov, Sergei; Khan, Omeir; Li, Stan Xiaogang; Glukhov, Ernest; Cao, Xin; Lazou, Maria; Bekar-Cesaretli, Ayse; Hailegeorgis, Derara; Averkava, Veranika; Zhu, Yimin; Jones, George; Yu, Hao; Kalitin, Dmytro; Stepanenko, Darya; Koirala, Kushal; Patsahan, Taras; Beglov, Dmitri; Lukin, Mark; Joseph-McCarthy, Diane; Simmerling, Carlos; Tropsha, Alexander; Coutsias, Evangelos; Dill, Ken A; Padhorny, Dzmitry; Vajda, Sandor; Kozakov, Dima

Hierarchical decoding of targeting tripeptide motif by the cytosolic iron-sulfur cluster assembly targeting complex

胞质铁硫簇组装靶向复合物对靶向三肽基序的分层解码

Buzuk, Anastasiya; Khan, Omeir; Kang, Soyoon; Yim, Leah; Vajda, Sandor; Perlstein, Deborah L

Improving B-cell epitope prediction

改进B细胞表位预测

Yu, Hao; Joseph-McCarthy, Diane; Vajda, Sandor

E-FTMap: A Protein Structure Based Pharmacophore Identification Server for Guiding Fragment Expansion

E-FTMap:基于蛋白质结构的药效团识别服务器,用于指导片段扩展

Khan, Omeir; Jones, George; Kozakov, Dima; Beglov, Dmitri; Joseph-McCarthy, Diane; Vajda, Sandor

Misfolding PRSS1 variant p.Ala61Val in a case of suspected intrauterine pancreatitis.

疑似宫内胰腺炎病例中发现 PRSS1 变异体 p.Ala61Val 错误折叠

Sándor Máté, Vitale David S, Nagy Zoltán Attila, Ibrahim Sherif Y, Abu-El-Haija Maisam, Lazou Maria, Vajda Sandor, Sahin-Tóth Miklós

Predicting multiple conformations of ligand binding sites in proteins suggests that AlphaFold2 may remember too much

预测蛋白质中配体结合位点的多种构象表明,AlphaFold2 可能记忆过多。

Lazou, Maria; Khan, Omeir; Nguyen, Thu; Padhorny, Dzmitry; Kozakov, Dima; Joseph-McCarthy, Diane; Vajda, Sandor

Which cryptic sites are feasible drug targets?

哪些隐蔽位点是可行的药物靶点?

Lazou, Maria; Kozakov, Dima; Joseph-McCarthy, Diane; Vajda, Sandor

Conservation of Hot Spots and Ligand Binding Sites in Protein Models by AlphaFold2

利用 AlphaFold2 对蛋白质模型中的热点和配体结合位点进行保守性分析

Bekar-Cesaretli, Ayse A; Khan, Omeir; Nguyen, Thu; Kozakov, Dima; Joseph-Mccarthy, Diane; Vajda, Sandor

Expanding FTMap for Fragment-Based Identification of Pharmacophore Regions in Ligand Binding Sites

扩展 FTMap 用于基于片段的配体结合位点药效团区域识别

Khan, Omeir; Jones, George; Lazou, Maria; Joseph-McCarthy, Diane; Kozakov, Dima; Beglov, Dmitri; Vajda, Sandor