Ruth Nussinov

Orcid: 0000-0002-8115-6415

According to our database1, Ruth Nussinov authored at least 116 papers between 1982 and 2024.

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Bibliography

2024
Capturing Autoinhibited PDK1 Reveals the Linker's Regulatory Role, Informing Innovative Inhibitor Design.
J. Chem. Inf. Model., 2024

Allosteric Activation of RhoA Complexed with p115-RhoGEF Deciphered by Conformational Dynamics.
J. Chem. Inf. Model., 2024

2022
Accurate prediction of molecular properties and drug targets using a self-supervised image representation learning framework.
Nat. Mac. Intell., November, 2022

HMI-PRED 2.0: a biologist-oriented web application for prediction of host-microbe protein-protein interaction by interface mimicry.
Bioinform., October, 2022

Markov State Models and Molecular Dynamics Simulations Reveal the Conformational Transition of the Intrinsically Disordered Hypervariable Region of K-Ras4B to the Ordered Conformation.
J. Chem. Inf. Model., 2022

Deep learning for drug repurposing: methods, databases, and applications.
CoRR, 2022

SARS-CoV-2 Interactome 3D: A Web interface for 3D visualization and analysis of SARS-CoV-2-human mimicry and interactions.
Bioinform., 2022

2021
MSA-Regularized Protein Sequence Transformer toward Predicting Genome-Wide Chemical-Protein Interactions: Application to GPCRome Deorphanization.
J. Chem. Inf. Model., 2021

A network-based deep learning methodology for stratification of tumor mutations.
Bioinform., 2021

Antigen Binding Reshapes Antibody Energy Landscape and Conformation Dynamics.
Proceedings of the IEEE International Conference on Bioinformatics and Biomedicine, 2021

2020
Individualized genetic network analysis reveals new therapeutic vulnerabilities in 6, 700 cancer genomes.
PLoS Comput. Biol., 2020

Network-based prediction of drug-target interactions using an arbitrary-order proximity embedded deep forest.
Bioinform., 2020

2019
A component overlapping attribute clustering (COAC) algorithm for single-cell RNA sequencing data analysis and potential pathobiological implications.
PLoS Comput. Biol., 2019

Protein ensembles link genotype to phenotype.
PLoS Comput. Biol., 2019

Correction: Review: Precision medicine and driver mutations: Computational methods, functional assays and conformational principles for interpreting cancer drivers.
PLoS Comput. Biol., 2019

Review: Precision medicine and driver mutations: Computational methods, functional assays and conformational principles for interpreting cancer drivers.
PLoS Comput. Biol., 2019

deepDR: a network-based deep learning approach to in silico drug repositioning.
Bioinform., 2019

2017
Computing the Dynamic Supramolecular Structural Proteome.
PLoS Comput. Biol., 2017

How can computation advance microbiome research?
PLoS Comput. Biol., 2017

Network approaches and applications in biology.
PLoS Comput. Biol., 2017

Structural host-microbiota interaction networks.
PLoS Comput. Biol., 2017

2016
Computing Biology.
PLoS Comput. Biol., 2016

Principles and Overview of Sampling Methods for Modeling Macromolecular Structure and Dynamics.
PLoS Comput. Biol., 2016

Allostery: An Overview of Its History, Concepts, Methods, and Applications.
PLoS Comput. Biol., 2016

Genome Landscapes of Disease: Strategies to Predict the Phenotypic Consequences of Human Germline and Somatic Variation.
PLoS Comput. Biol., 2016

2015
Computational Methods for Exploration and Analysis of Macromolecular Structure and Dynamics.
PLoS Comput. Biol., 2015

From "What Is?" to "What Isn't?" Computational Biology.
PLoS Comput. Biol., 2015

Advancements and Challenges in Computational Biology.
PLoS Comput. Biol., 2015

How to Write a Presubmission Inquiry.
PLoS Comput. Biol., 2015

Mapping the Conformation Space of Wildtype and Mutant H-Ras with a Memetic, Cellular, and Multiscale Evolutionary Algorithm.
PLoS Comput. Biol., 2015

Coupling of Zinc-Binding and Secondary Structure in Nonfibrillar Aβ40 Peptide Oligomerization.
J. Chem. Inf. Model., 2015

Defining the Domain Arrangement of the Mammalian Target of Rapamycin Complex Component Rictor Protein.
J. Comput. Biol., 2015

2014
A Unified View of "How Allostery Works".
PLoS Comput. Biol., 2014

The Structural Pathway of Interleukin 1 (IL-1) Initiated Signaling Reveals Mechanisms of Oncogenic Mutations and SNPs in Inflammation and Cancer.
PLoS Comput. Biol., 2014

The Significance of the 2013 Nobel Prize in Chemistry and the Challenges Ahead.
PLoS Comput. Biol., 2014

The Structural Basis of ATP as an Allosteric Modulator.
PLoS Comput. Biol., 2014

Making Biomolecular Simulations Accessible in the Post-Nobel Prize Era.
PLoS Comput. Biol., 2014

PRISM: a web server and repository for prediction of protein-protein interactions and modeling their 3D complexes.
Nucleic Acids Res., 2014

MIMTool: A Tool for Drawing Molecular Interaction Maps.
CoRR, 2014

2013
How Can <i>PLOS Computational Biology</i> Help the Biological Sciences?
PLoS Comput. Biol., 2013

New Methods Section in <i>PLOS Computational Biology</i>.
PLoS Comput. Biol., 2013

Engineering strategy to improve peptide analogs: from structure-based computational design to tumor homing.
J. Comput. Aided Mol. Des., 2013

2012
A Future Vision for <i>PLOS Computational Biology</i>.
PLoS Comput. Biol., 2012

Conformational Control of the Binding of the Transactivation Domain of the MLL Protein and c-Myb to the KIX Domain of CREB.
PLoS Comput. Biol., 2012

A Review of 2011 for <i>PLoS Computational Biology</i>.
PLoS Comput. Biol., 2012

A Strategy Based on Protein-Protein Interface Motifs May Help in Identifying Drug Off-Targets.
J. Chem. Inf. Model., 2012

Structure and dynamics of molecular networks: A novel paradigm of drug discovery. A comprehensive review
CoRR, 2012

2011
The Role of Response Elements Organization in Transcription Factor Selectivity: The IFN-β Enhanceosome Example.
PLoS Comput. Biol., 2011

A Review of 2010 for <i>PLoS Computational Biology</i>.
PLoS Comput. Biol., 2011

A simulation strategy for the atomistic modeling of flexible molecules covalently tethered to rigid surfaces: Application to peptides.
J. Comput. Chem., 2011

A Formal MIM Specification and Tools for the Common Exchange of MIM Diagrams: an XML-Based Format, an API, and a Validation Method.
BMC Bioinform., 2011

GOSSIP: a method for fast and accurate global alignment of protein structures.
Bioinform., 2011

2010
A Mechanistic View of the Role of E3 in Sumoylation.
PLoS Comput. Biol., 2010

Lysine120 Interactions with p53 Response Elements can Allosterically Direct p53 Organization.
PLoS Comput. Biol., 2010

FiberDock: a web server for flexible induced-fit backbone refinement in molecular docking.
Nucleic Acids Res., 2010

CCRXP: exploring clusters of conserved residues in protein structures.
Nucleic Acids Res., 2010

Conformational Profile of a Proline-Arginine Hybrid.
J. Chem. Inf. Model., 2010

2009
Cooperativity Dominates the Genomic Organization of p53-Response Elements: A Mechanistic View.
PLoS Comput. Biol., 2009

The Mechanism of Ubiquitination in the Cullin-RING E3 Ligase Machinery: Conformational Control of Substrate Orientation.
PLoS Comput. Biol., 2009

RsiteDB: a database of protein binding pockets that interact with RNA nucleotide bases.
Nucleic Acids Res., 2009

Protein Segments with Conformationally Restricted Amino Acids Can Control Supramolecular Organization at the Nanoscale.
J. Chem. Inf. Model., 2009

Novel Approach for Efficient Pharmacophore-Based Virtual Screening: Method and Applications.
J. Chem. Inf. Model., 2009

A survey of available tools and web servers for analysis of protein-protein interactions and interfaces.
Briefings Bioinform., 2009

2008
MolAxis: a server for identification of channels in macromolecules.
Nucleic Acids Res., 2008

MultiBind and MAPPIS: webservers for multiple alignment of protein 3D-binding sites and their interactions.
Nucleic Acids Res., 2008

PharmaGist: a webserver for ligand-based pharmacophore detection.
Nucleic Acids Res., 2008

FireDock: a web server for fast interaction refinement in molecular docking.
Nucleic Acids Res., 2008

Application of 1-Aminocyclohexane Carboxylic Acid to Protein Nanostructure Computer Design.
J. Chem. Inf. Model., 2008

Deterministic Pharmacophore Detection via Multiple Flexible Alignment of Drug-Like Molecules.
J. Comput. Biol., 2008

Structural similarity of genetically interacting proteins.
BMC Syst. Biol., 2008

Bio-geometry: challenges, approaches, and future opportunities in proteomics and drug discovery.
Proceedings of the 2008 ACM Symposium on Solid and Physical Modeling, 2008

Principles of Protein Recognition and Properties of Protein-protein Interfaces.
Proceedings of the Protein-protein Interactions and Networks: Identification, 2008

2007
EMatch: Discovery of High Resolution Structural Homologues of Protein Domains in Intermediate Resolution Cryo-EM Maps.
IEEE ACM Trans. Comput. Biol. Bioinform., 2007

Ligand Binding and Circular Permutation Modify Residue Interaction Network in DHFR.
PLoS Comput. Biol., 2007

2006
Designing a Nanotube Using Naturally Occurring Protein Building Blocks.
PLoS Comput. Biol., 2006

The ARTS web server for aligning RNA tertiary structures.
Nucleic Acids Res., 2006

The Multiple Common Point Set Problem and Its Application to Molecule Binding Pattern Detection.
J. Comput. Biol., 2006

A permissive secondary structure-guided superposition tool for clustering of protein fragments toward protein structure prediction via fragment assembly.
Bioinform., 2006

2005
SiteEngines: recognition and comparison of binding sites and protein-protein interfaces.
Nucleic Acids Res., 2005

PatchDock and SymmDock: servers for rigid and symmetric docking.
Nucleic Acids Res., 2005

PRISM: protein interactions by structural matching.
Nucleic Acids Res., 2005

Multiple Docking for Protein Structure Prediction.
Int. J. Robotics Res., 2005

Discovery of Protein Substructures in EM Maps.
Proceedings of the Algorithms in Bioinformatics, 5th International Workshop, 2005

Recognition of Binding Patterns Common to a Set of Protein Structures.
Proceedings of the Research in Computational Molecular Biology, 2005

ARTS: alignment of RNA tertiary structures.
Proceedings of the ECCB/JBI'05 Proceedings, Fourth European Conference on Computational Biology/Sixth Meeting of the Spanish Bioinformatics Network (Jornadas de BioInformática), Palacio de Congresos, Madrid, Spain, September 28, 2005

MAPPIS: Multiple 3D Alignment of Protein-Protein Interfaces.
Proceedings of the Computational Life Sciences, First International Symposium, 2005

2004
BioInfo3D: a suite of tools for structural bioinformatics.
Nucleic Acids Res., 2004

FlexProt: Alignment of Flexible Protein Structures Without a Predefinition of Hinge Regions.
J. Comput. Biol., 2004

Protein-Protein Interfaces: Recognition of Similar Spatial and Chemical Organizations.
Proceedings of the Algorithms in Bioinformatics, 4th International Workshop, 2004

2003
Protein structure prediction via combinatorial assembly of sub-structural units.
Proceedings of the Eleventh International Conference on Intelligent Systems for Molecular Biology, June 29, 2003

MASS: multiple structural alignment by secondary structures.
Proceedings of the Eleventh International Conference on Intelligent Systems for Molecular Biology, June 29, 2003

2002
MultiProt - A Multiple Protein Structural Alignment Algorithm.
Proceedings of the Algorithms in Bioinformatics, Second International Workshop, 2002

Efficient Unbound Docking of Rigid Molecules.
Proceedings of the Algorithms in Bioinformatics, Second International Workshop, 2002

2001
MUSTA - A General, Efficient, Automated Method for Multiple Structure Alignment and Detection of Common Motifs: Application to Proteins.
J. Comput. Biol., 2001

A hierarchical, building-block-based computational scheme for protein structure prediction.
IBM J. Res. Dev., 2001

Protein flexibility and electrostatic interactions.
IBM J. Res. Dev., 2001

2000
Alignment of Flexible Protein Structures.
Proceedings of the Eighth International Conference on Intelligent Systems for Molecular Biology, 2000

1999
Multiple Structural Alignment and Core Detection by Geometric Hashing.
Proceedings of the Seventh International Conference on Intelligent Systems for Molecular Biology, 1999

1998
A Method for Biomolecular Structural Recognition and Docking Allowing Conformational Flexibility.
J. Comput. Biol., 1998

[Invited Lecture] Structural motifs in the interior and on the surfaces of protein monomers and at protein-protein interfaces.
Proceedings of the German Conference on Bioinformatics, 1998

1996
Docking of Conformationally Flexible Proteins.
Proceedings of the Combinatorial Pattern Matching, 7th Annual Symposium, 1996

1995
An automated computer vision and robotics-based technique for 3-D flexible biomolecular docking and matching.
Comput. Appl. Biosci., 1995

1994
Docking of protein molecules.
Proceedings of the 12th IAPR International Conference on Pattern Recognition, 1994

1993
3-D Docking of Protein Molecules.
Proceedings of the Combinatorial Pattern Matching, 4th Annual Symposium, 1993

1992
3-D Substructure Matching in Protein Molecules.
Proceedings of the Combinatorial Pattern Matching, Third Annual Symposium, 1992

1991
Signals in DNA sequences and their potential properties.
Comput. Appl. Biosci., 1991

Compositional variations in DNA sequences.
Comput. Appl. Biosci., 1991

1989
RNA secondary structures: comparison and determination of frequently recurring substructures by consensus.
Comput. Appl. Biosci., 1989

1988
A fixed-point alignment technique for detection of recurrent and common sequence motifs associated with biological features.
Comput. Appl. Biosci., 1988

An improved secondary structure computation method and its application to intervening sequence in the human alpha-likeglobin mRNA precursors.
Comput. Appl. Biosci., 1988

Locating alignments with k differences for nucleotide and amino acid sequences.
Comput. Appl. Biosci., 1988

1986
A sequence analysis system encompassing rules for DNA helical distortion.
Nucleic Acids Res., 1986

An efficient string matching algorithm with k differences for nucleotide and amino acid sequences.
Nucleic Acids Res., 1986

1984
An accelerated algorithm for calculating the secondary structure of single stranded RNAs.
Nucleic Acids Res., 1984

1982
Secondary structure model for the complete simian virus 50 late precursor mRNA.
Nucleic Acids Res., 1982

Small changes in free energy assignments for unpaired bases do not affect predicted secondary structures in single stranded RNA.
Nucleic Acids Res., 1982


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