Sian Xiao - Publications, H-index & Citations

Sian Xiao

Southern Methodist University

12H指数

45论文数

445被引数

收录论文 12

发表时间

Exploring binding and allosteric energy landscapes for the KRAS interactions with effector proteins using Markov state modeling of conformational ensembles and allosteric network modeling 探索KRAS与效应蛋白相互作用的结合能和别构能景观：使用构象集合的马尔可夫状态建模和别构网络建模

Protein Science

IF5.2

2025-07-16

PREAI

Sian Xiao; Mohammed Alshahrani; Guang Hu; Peng Tao; Gennady Verkhivker

Integration of a Randomized Sequence Scanning Approach in AlphaFold2 and Local Frustration Profiling of Conformational States Enable Interpretable Atomistic Characterization of Conformational Ensembles and Detection of Hidden Allosteric States in the ABL1 Protein Kinase

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2024-06-12

PREAI

Raisinghani, Nishank; Alshahrani, Mohammed; Gupta, Grace; Tian, Hao; Xiao, Sian; Tao, Peng; Verkhivker, Gennady M.

β-sheets mediate the conformational change and allosteric signal transmission between the AsLOV2 termini

JOURNAL OF COMPUTATIONAL CHEMISTRY

IF4.8

2024-03-13

OAAI

Xiao, Sian; Ibrahim, Mayar Tarek; Verkhivker, Gennady M.; Zoltowski, Brian D.; Tao, Peng

AlphaFold2-Enabled Atomistic Modeling of Structure, Conformational Ensembles, and Binding Energetics of the SARS-CoV-2 Omicron BA.2.86 Spike Protein with ACE2 Host Receptor and Antibodies: Compensatory Functional Effects of Binding Hotspots in Modulating Mechanisms of Receptor Binding and Immune Escape

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2024-02-19

PREAI

Raisinghani, Nishank; Alshahrani, Mohammed; Gupta, Grace; Xiao, Sian; Tao, Peng; Verkhivker, Gennady

Comparative Analysis of Conformational Dynamics and Systematic Characterization of Cryptic Pockets in the SARS-CoV-2 Omicron BA.2, BA.2.75 and XBB.1 Spike Complexes with the ACE2 Host Receptor: Confluence of Binding and Structural Plasticity in Mediating Networks of Conserved Allosteric Sites

VIRUSES-BASEL

IF3.5

2023-10-10

OAAI

Alshahrani, Mohammed; Gupta, Grace; Xiao, Sian; Tao, Peng; Verkhivker, Gennady

PASSerRank: Prediction of allosteric sites with learning to rank

JOURNAL OF COMPUTATIONAL CHEMISTRY

IF4.8

2023-08-10

OAAI

Tian, Hao; Xiao, Sian; Jiang, Xi; Tao, Peng

Markov State Models and Perturbation-Based Approaches Reveal Distinct Dynamic Signatures and Hidden Allosteric Pockets in the Emerging SARS-Cov-2 Spike Omicron Variant Complexes with the Host Receptor: The Interplay of Dynamics and Convergent Evolution Modulates Allostery and Functional Mechanisms

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2023-08-07

OAAI

Xiao, Sian; Alshahrani, Mohammed; Gupta, Grace; Tao, Peng; Verkhivker, Gennady

PASSer: fast and accurate prediction of protein allosteric sites

NUCLEIC ACIDS RESEARCH

IF13.1

2023-04-27

OAAI

Tian, Hao; Xiao, Sian; Jiang, Xi; Tao, Peng

Machine learning and protein allostery

TRENDS IN BIOCHEMICAL SCIENCES

IF11

2023-04-01

OAAI

Xiao, Sian; Verkhivker, Gennady M.; Tao, Peng

LAST: Latent Space-Assisted Adaptive Sampling for Protein Trajectories

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2022-12-06

OAAI

Tian, Hao; Jiang, Xi; Xiao, Sian; La Force, Hunter; Larson, Eric C.; Tao, Peng

PASSer2.0: Accurate Prediction of Protein Allosteric Sites Through Automated Machine Learning PASSer2.0: 通过自动化机器学习准确预测蛋白质变构位点

FRONTIERS IN MOLECULAR BIOSCIENCES

IF4

2022-07-11

OAAI

Xiao, Sian; Tian, Hao; Tao, Peng

Explore Protein Conformational Space With Variational Autoencoder

FRONTIERS IN MOLECULAR BIOSCIENCES

IF4

2021-11-12

OAAI

Tian, Hao; Jiang, Xi; Trozzi, Francesco; Xiao, Sian; Larson, Eric C.; Tao, Peng

研究方向