Harel Weinstein

According to our database, Harel Weinstein authored at least 22 papers between 1997 and 2023.

Collaborative distances:

• Dijkstra number of three.
• Erdős number of four.

2023

Runtime Steering of Molecular Dynamics Simulations Through In Situ Analysis and Annotation of Collective Variables.

Silvina Caíno-Lores, Michel A. Cuendet, Jack Marquez, Ekaterina D. Kots, Trilce Estrada, Ewa Deelman, Harel Weinstein, Michela Taufer

Proceedings of the Platform for Advanced Scientific Computing Conference, 2023

Online Boosted Gaussian Learners for In-Situ Detection and Characterization of Protein Folding States in Molecular Dynamics Simulations.

Harshita Sahni, Hector Carrillo-Cabada, Ekaterina D. Kots, Silvina Caíno-Lores, Jack Marquez, Ewa Deelman, Michel A. Cuendet, Harel Weinstein, Michela Taufer, Trilce Estrada

Proceedings of the 19th IEEE International Conference on e-Science, 2023

2021

A Graphic Encoding Method for Quantitative Classification of Protein Structure and Representation of Conformational Changes.

Hector Carrillo-Cabada, Jeremy Benson, Asghar M. Razavi, Brianna Mulligan, Michel A. Cuendet, Harel Weinstein, Michela Taufer, Trilce Estrada

IEEE ACM Trans. Comput. Biol. Bioinform., 2021

A lightweight method for evaluating <i>in situ</i> workflow efficiency.

Tu Mai Anh Do, Loïc Pottier, Silvina Caíno-Lores, Rafael Ferreira da Silva, Michel A. Cuendet, Harel Weinstein, Trilce Estrada, Michela Taufer, Ewa Deelman

J. Comput. Sci., 2021

2020

Membrane lipids are both the substrates and a mechanistically responsive environment of TMEM16 scramblase proteins.

George Khelashvili, Xiaolu Cheng, Maria E. Falzone, Milka Doktorova, Alessio Accardi, Harel Weinstein

J. Comput. Chem., 2020

A Novel Metric to Evaluate In Situ Workflows.

Tu Mai Anh Do, Loïc Pottier, Stephen Thomas, Rafael Ferreira da Silva, Michel A. Cuendet, Harel Weinstein, Trilce Estrada, Michela Taufer, Ewa Deelman

Proceedings of the Computational Science - ICCS 2020, 2020

2019

Characterizing In Situ and In Transit Analytics of Molecular Dynamics Simulations for Next-Generation Supercomputers.

Michela Taufer, Ewa Deelman, Stephen Thomas, Michael R. Wyatt II, Tu Mai Anh Do, Loïc Pottier, Rafael Ferreira da Silva, Harel Weinstein, Michel A. Cuendet, Trilce Estrada

Proceedings of the 15th International Conference on eScience, 2019

2018

Graphic Encoding of Macromolecules for Efficient High-Throughput Analysis.

Trilce Estrada, Jeremy Benson, Hector Carrillo-Cabada, Asghar M. Razavi, Michel A. Cuendet, Harel Weinstein, Ewa Deelman, Michela Taufer

Proceedings of the 2018 ACM International Conference on Bioinformatics, 2018

2015

AIM for Allostery: Using the Ising Model to Understand Information Processing and Transmission in Allosteric Biomolecular Systems.

Michael V. LeVine, Harel Weinstein

Entropy, 2015

2014

NbIT - A New Information Theory-Based Analysis of Allosteric Mechanisms Reveals Residues that Underlie Function in the Leucine Transporter LeuT.

Michael V. LeVine, Harel Weinstein

PLoS Comput. Biol., 2014

N-body Information Theory (NbIT) Analysis of Rigid-Body Dynamics in Intracellular Loop 2 of the 5-HT2A Receptor.

Michael V. LeVine, Jose Manuel Perez-Aguilar, Harel Weinstein

Proceedings of the International Work-Conference on Bioinformatics and Biomedical Engineering, 2014

2012

Ligand-Dependent Conformations and Dynamics of the Serotonin 5-HT_2A Receptor Determine Its Activation and Membrane-Driven Oligomerization Properties.

Jufang Shan, George Khelashvili, Sayan Mondal, Ernest L. Mehler, Harel Weinstein

PLoS Comput. Biol., 2012

2010

TRAC: A Platform for Structure-Function Studies of NSS-Proteins Integrates Information from Bioinformatics and Biomedical Literature.

Lei Shi, Marko Srdanovic, Thijs Beuming, Lucy Skrabanek, Jonathan A. Javitch, Harel Weinstein

Proceedings of the 10th IEEE International Conference on Bioinformatics and Bioengineering, 2010

Quantification and Analysis of Combination Drug Synergy in High-Throughput Transcriptome Studies.

Zeynep H. Gümüs, Fernando Siso-Nadal, Ada Gjrezi, Paul McDonagh, Iya Khalil, Paraskevi Giannakakou, Harel Weinstein

Proceedings of the 10th IEEE International Conference on Bioinformatics and Bioengineering, 2010

2006

Modeling activated states of GPCRs: the rhodopsin template.

Masha Y. Niv, Lucy Skrabanek, Marta Filizola, Harel Weinstein

J. Comput. Aided Mol. Des., 2006

Dynamic models of G-protein coupled receptor dimers: indications of asymmetry in the rhodopsin dimer from molecular dynamics simulations in a POPC bilayer.

Marta Filizola, Simon X. Wang, Harel Weinstein

J. Comput. Aided Mol. Des., 2006

2005

PDZBase: a protein?Cprotein interaction database for PDZ-domains.

Thijs Beuming, Lucy Skrabanek, Masha Y. Niv, Piali Mukherjee, Harel Weinstein

Bioinform., 2005

2004

A knowledge-based scale for the analysis and prediction of buried and exposed faces of transmembrane domain proteins.

Thijs Beuming, Harel Weinstein

Bioinform., 2004

2003

Building protein diagrams on the web with the residue-based diagram editor RbDe.

Lucy Skrabanek, Fabien Campagne, Harel Weinstein

Nucleic Acids Res., 2003

Batch mode generation of residue-based diagrams of proteins.

Fabien Campagne, Emmanuel Bettler, Gert Vriend, Harel Weinstein

Bioinform., 2003

2002

Key issues in the computational simulation of GPCR function: representation of loop domains.

Ernest L. Mehler, Xavier Periole, S. A. Hassan, Harel Weinstein

J. Comput. Aided Mol. Des., 2002

1997

Brownian dynamics simulations of the reactions of hydrated electrons with components of DNAs and a DNA double-helix.

Arnaud J. A. Soirat, Chung F. Wong, Roman Osman, Harel Weinstein

J. Comput. Chem., 1997