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

On generalizing the induced surface charge method to heterogeneous Poisson-Boltzmann models for electrostatic free energy calculation

将感应表面电荷方法推广到用于静电自由能计算的非均匀泊松-玻尔兹曼模型

Ijaodoro, Idowu; Shao, Yuanzhen; Alexov, Emil; Zhao, Shan

CDKL5 Deficiency Disorder: Revealing the Molecular Mechanism of Pathogenic Variants

CDKL5 缺乏症:揭示致病变异的分子机制

Paul, Shamrat Kumar; Panday, Shailesh Kumar; Boccuto, Luigi; Alexov, Emil

On delivering polar solvation free energy of proteins from energy minimized structures using a regularized super-Gaussian Poisson-Boltzmann model

利用正则化超高斯泊松-玻尔兹曼模型,从能量最小化结构中导出蛋白质的极性溶剂化自由能

Panday, Shailesh Kumar; Chakravorty, Arghya; Zhao, Shan; Alexov, Emil

Quantification and structure-function analysis of calpain-1 and calpain-2 protease subunit interactions

钙蛋白酶-1和钙蛋白酶-2亚基相互作用的定量和结构-功能分析

Ivan Shapovalov ,Prawin Rimal ,Pitambar Poudel ,Victoria Lewtas ,Mathias Bell ,Shailesh Kumar Panday ,Brian J Laight ,Danielle Harper ,Stacy Grieve ,George S Baillie ,Kazem Nouri ,Peter L Davies ,Emil Alexov ,Peter A Greer

Assessing the predicted impact of single amino acid substitutions in calmodulin for CAGI6 challenges

评估钙调蛋白中单个氨基酸替换对 CAGI6 挑战的预测影响

Turina, Paola; Dal Cortivo, Giuditta; Enriquez Sandoval, Carlos A; Alexov, Emil; Ascher, David B; Babbi, Giulia; Bakolitsa, Constantina; Casadio, Rita; Fariselli, Piero; Folkman, Lukas; Kamandula, Akash; Katsonis, Panagiotis; Li, Dong; Lichtarge, Olivier; Martelli, Pier Luigi; Panday, Shailesh Kumar; Pires, Douglas E V; Portelli, Stephanie; Pucci, Fabrizio; Rodrigues, Carlos H M; Rooman, Marianne; Savojardo, Castrense; Schwersensky, Martin; Shen, Yang; Strokach, Alexey V; Sun, Yuanfei; Woo, Junwoo; Radivojac, Predrag; Brenner, Steven E; Dell'Orco, Daniele; Capriotti, Emidio

Assessing the predicted impact of single amino acid substitutions in MAPK proteins for CAGI6 challenges

评估 MAPK 蛋白中单个氨基酸替换对 CAGI6 挑战的预测影响

Turina, Paola; Petrosino, Maria; Enriquez Sandoval, Carlos A; Novak, Leonore; Pasquo, Alessandra; Alexov, Emil; Alladin, Muttaqi Ahmad; Ascher, David B; Babbi, Giulia; Bakolitsa, Constantina; Casadio, Rita; Cheng, Jianlin; Fariselli, Piero; Folkman, Lukas; Kamandula, Akash; Katsonis, Panagiotis; Li, Minghui; Li, Dong; Lichtarge, Olivier; Mahmud, Sajid; Martelli, Pier Luigi; Pal, Debnath; Panday, Shailesh Kumar; Pires, Douglas E V; Portelli, Stephanie; Pucci, Fabrizio; Rodrigues, Carlos H M; Rooman, Marianne; Savojardo, Castrense; Schwersensky, Martin; Shen, Yang; Strokach, Alexey V; Sun, Yuanfei; Woo, Junwoo; Radivojac, Predrag; Brenner, Steven E; Chiaraluce, Roberta; Consalvi, Valerio; Capriotti, Emidio

PKAD-R: curated, redesigned and expanded database of experimental pKa values in proteins

PKAD-R:经过整理、重新设计和扩展的蛋白质实验 pKa 值数据库

Chen, Ada Y; Panday, Shailesh K; Ri, Kaoru; Alexov, Emil; Brooks, Bernard R; Damjanovic, Ana

Functional and Structural Characterization of Pathogenicity of Human Arginine-Histidine Variants

人类精氨酸-组氨酸变体致病性的功能和结构特征

Modha, Nirav; Alexov, Emil

Calculation of electrostatic free energy for the nonlinear Poisson-Boltzmann model based on the dimensionless potential

基于无量纲势的非线性泊松-玻尔兹曼模型静电自由能计算

Zhao, Shan; Ijaodoro, Idowu; McGowan, Mark; Alexov, Emil

Genetic Variants Linked to Opioid Addiction: A Genome-Wide Association Study

与阿片类药物成瘾相关的遗传变异:全基因组关联研究

Shailesh Kumar Panday, Vijay Shankar, Rachel Ann Lyman, Emil Alexov