Jesús A. Izaguirre - Publications, H-index & Citations

Jesús A. Izaguirre

University of Notre Dame

26H指数

84论文数

3.6K被引数

收录论文 27

发表时间

Non-Markovian Dynamic Models Identify Non-Canonical KRAS-VHL Encounter Complex Conformations for Novel PROTAC Design

JACS AU

IF8.7

2024-09-24

OAAI

Qiu, Yunrui; Wiewiora, Rafal P.; Izaguirre, Jesus A.; Xu, Huafeng; Sherman, Woody; Tang, Weiping; Huang, Xuhui

Targeted Protein Degradation: Advances, Challenges, and Prospects for Computational Methods

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2023-08-21

OAAI

Mostofian, Barmak; Martin, Holli-Joi; Razavi, Asghar; Patel, Shivam; Allen, Bryce; Sherman, Woody; Izaguirre, Jesus A.

A Conserved Local Structural Motif Controls the Kinetics of PTP1B Catalysis

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2023-06-28

OAAI

Yeh, Christine Y. Y.; Izaguirre, Jesus A.; Greisman, Jack B.; Willmore, Lindsay; Maragakis, Paul; Shaw, David E.

Modeling the Effect of Cooperativity in Ternary Complex Formation and Targeted Protein Degradation Mediated by Heterobifunctional Degraders

ACS BIO & MED CHEM AU

IF4.3

2022-11-15

OAAI

Park, Daniel; Izaguirre, Jesus; Coffey, Rory; Xu, Huafeng

Predicting the structural basis of targeted protein degradation by integrating molecular dynamics simulations with structural mass spectrometry 通过将分子动力学模拟与结构质谱相结合来预测目标蛋白质降解的结构基础

NATURE COMMUNICATIONS

IF15.7

2022-10-06

OAAI

Dixon, Tom; MacPherson, Derek; Mostofian, Barmak; Dauzhenka, Taras; Lotz, Samuel; McGee, Dwight; Shechter, Sharon; Shrestha, Utsab R.; Wiewiora, Rafal; McDargh, Zachary A.; Pei, Fen; Pal, Rajat; Ribeiro, Joao V.; Wilkerson, Tanner; Sachdeva, Vipin; Gao, Ning; Jain, Shourya; Sparks, Samuel; Li, Yunxing; Vinitsky, Alexander; Zhang, Xin; Razavi, Asghar M.; Kolossvary, Istvan; Imbriglio, Jason; Evdokimov, Artem; Bergeron, Louise; Zhou, Wenchang; Adhikari, Jagat; Ruprecht, Benjamin; Dickson, Alex; Xu, Huafeng; Sherman, Woody; Izaguirre, Jesus A.

Atomic-Level Characterization of an Allosteric Gene Regulatory System

BIOPHYSICAL JOURNAL

IF3.1

2019-02-01

OAAI

LeVine, Michael V.; Piana, Stefano; Tucker, Maxwell; Izaguirre, Jesus; Shaw, David E.

Accelerated molecular dynamics simulations of the octopamine receptor using GPUs: discovery of an alternate agonist-binding position

PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

IF2.8

2016-07-05

OAAI

Kastner, Kevin W.; Izaguirre, Jesus A.

A comparison of weighted ensemble and Markov state model methodologies

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2015-06-05

OAAI

Feng, Haoyun; Costaouec, Ronan; Darve, Eric; Izaguirre, Jesus A.

Evaluation of conformational changes in diabetes-associated mutation in insulin a chain: A molecular dynamics study

PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

IF2.8

2015-02-05

OAAI

Kim, Yong Hwan; Kastner, Kevin; Abdul-Wahid, Badi; Izaguirre, Jesus A.

AWE-WQ: Fast-Forwarding Molecular Dynamics Using the Accelerated Weighted Ensemble

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2014-09-24

OAAI

Abdul-Wahid, Badi'; Feng, Haoyun; Rajan, Dinesh; Costaouec, Ronan; Darve, Eric; Thain, Douglas; Izaguirre, Jesus A.

Long Timestep Molecular Dynamics on the Graphical Processing Unit

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2013-07-18

OAAI

Sweet, James C.; Nowling, Ronald J.; Cickovski, Trevor; Sweet, Christopher R.; Pande, Vijay S.; Izaguirre, Jesus A.

Identification of novel arthropod vector G protein-coupled receptors

PARASITES & VECTORS

IF3.5

2013-05-24

OAAI

Nowling, Ronald J.; Abrudan, Jenica L.; Shoue, Douglas A.; Abdul-Wahid, Badi'; Wadsworth, Mariha; Stayback, Gwen; Collins, Frank H.; McDowell, Mary Ann; Izaguirre, Jesus A.

A separable shadow Hamiltonian hybrid Monte Carlo method

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2009-11-03

OAAI

Sweet, Christopher R.; Hampton, Scott S.; Skeel, Robert D.; Izaguirre, Jesus A.

MDLab: A Molecular Dynamics Simulation Prototyping Environment

JOURNAL OF COMPUTATIONAL CHEMISTRY

IF4.8

2009-10-30

OAAI

Cickovski, Trevor; Chatterjee, Santanu; Wenger, Jacob; Sweet, Christopher R.; Izaguirre, Jesus A.