Jeffrey Skolnick

Orcid: 0000-0002-1877-4958

According to our database1, Jeffrey Skolnick authored at least 55 papers between 1993 and 2024.

Collaborative distances:
  • Dijkstra number2 of four.
  • Erdős number3 of four.

Timeline

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Bibliography

2024
HiGen: Hierarchy-Aware Sequence Generation for Hierarchical Text Classification.
Proceedings of the 18th Conference of the European Chapter of the Association for Computational Linguistics, 2024

2023
Predicted structural proteome of <i>Sphagnum divinum</i> and proteome-scale annotation.
Bioinform., August, 2023

2021
FRAGSITE: A Fragment-Based Approach for Virtual Ligand Screening.
J. Chem. Inf. Model., 2021

AlphaFold 2: Why It Works and Its Implications for Understanding the Relationships of Protein Sequence, Structure, and Function.
J. Chem. Inf. Model., 2021

A General Framework to Learn Tertiary Structure for Protein Sequence Characterization.
Frontiers Bioinform., 2021

A novel sequence alignment algorithm based on deep learning of the protein folding code.
Bioinform., 2021

High-Performance Deep Learning Toolbox for Genome-Scale Prediction of Protein Structure and Function.
Proceedings of the IEEE/ACM Workshop on Machine Learning in High Performance Computing Environments, 2021

2018
FINDSITEcomb2.0: A New Approach for Virtual Ligand Screening of Proteins and Virtual Target Screening of Biomolecules.
J. Chem. Inf. Model., 2018

2017
On the importance of composite protein multiple ligand interactions in protein pockets.
J. Comput. Chem., 2017

2016
A knowledge-based approach for predicting gene-disease associations.
Bioinform., 2016

2015
<i>PoLi</i>: A Virtual Screening Pipeline Based on Template Pocket and Ligand Similarity.
J. Chem. Inf. Model., 2015

LIGSIFT: an open-source tool for ligand structural alignment and virtual screening.
Bioinform., 2015

GS-align for glycan structure alignment and similarity measurement.
Bioinform., 2015

2014
Sliding of Proteins Non-specifically Bound to DNA: Brownian Dynamics Studies with Coarse-Grained Protein and DNA Models.
PLoS Comput. Biol., 2014

Experimental validation of FINDSITEcomb virtual ligand screening results for eight proteins yields novel nanomolar and micromolar binders.
J. Cheminformatics, 2014

2013
Restricted N-glycan Conformational Space in the PDB and Its Implication in Glycan Structure Modeling.
PLoS Comput. Biol., 2013

A Comprehensive Survey of Small-Molecule Binding Pockets in Proteins.
PLoS Comput. Biol., 2013

FINDSITE<sup>comb</sup>: A Threading/Structure-Based, Proteomic-Scale Virtual Ligand Screening Approach.
J. Chem. Inf. Model., 2013

APoc: large-scale identification of similar protein pockets.
Bioinform., 2013

2012
EFICAz<sup>2.5</sup>: application of a high-precision enzyme function predictor to 396 proteomes.
Bioinform., 2012

2011
Learning Protein Folding Energy Functions.
Proceedings of the 11th IEEE International Conference on Data Mining, 2011

2010
Comprehensive Structural and Functional Characterization of the Human Kinome by Protein Structure Modeling and Ligand Virtual Screening.
J. Chem. Inf. Model., 2010

Q-Dock<sup>LHM</sup>: Low-resolution refinement for ligand comparative modeling.
J. Comput. Chem., 2010

PSiFR: an integrated resource for prediction of protein structure and function.
Bioinform., 2010

iAlign: a method for the structural comparison of protein-protein interfaces.
Bioinform., 2010

2009
A Threading-Based Method for the Prediction of DNA-Binding Proteins with Application to the Human Genome.
PLoS Comput. Biol., 2009

From Nonspecific DNA-Protein Encounter Complexes to the Prediction of DNA-Protein Interactions.
PLoS Comput. Biol., 2009

FINDSITE<sup>LHM</sup>: A Threading-Based Approach to Ligand Homology Modeling.
PLoS Comput. Biol., 2009

EFICAz<sup>2</sup>: enzyme function inference by a combined approach enhanced by machine learning.
BMC Bioinform., 2009

FINDSITE: a combined evolution/structure-based approach to protein function prediction.
Briefings Bioinform., 2009

2008
Fast procedure for reconstruction of full-atom protein models from reduced representations.
J. Comput. Chem., 2008

Assessment of programs for ligand binding affinity prediction.
J. Comput. Chem., 2008

Q-Dock: Low-resolution flexible ligand docking with pocket-specific threading restraints.
J. Comput. Chem., 2008

Fr-TM-align: a new protein structural alignment method based on fragment alignments and the TM-score.
BMC Bioinform., 2008

2007
Can a physics-based, all-atom potential find a protein's native structure among misfolded structures? I. Large scale AMBER benchmarking.
J. Comput. Chem., 2007

Origin of intrinsic 3<sub>10</sub>-helix versus strand stability in homopolypeptides and its implications for the accuracy of the Amber force field.
J. Comput. Chem., 2007

2006
Correction: Structure Modeling of All Identified G Protein-Coupled Receptors in the Human Genome.
PLoS Comput. Biol., 2006

Structure Modeling of All Identified G Protein-Coupled Receptors in the Human Genome.
PLoS Comput. Biol., 2006

2005
A scoring function for docking ligands to low-resolution protein structures.
J. Comput. Chem., 2005

2004
SPICKER: A clustering approach to identify near-native protein folds.
J. Comput. Chem., 2004

Large-scale assessment of the utility of low-resolution protein structures for biochemical function assignment.
Bioinform., 2004

2003
Protein fragment reconstruction using various modeling techniques.
J. Comput. Aided Mol. Des., 2003

2002
Docking of small ligands to low-resolution and theoretically predicted receptor structures.
J. Comput. Chem., 2002

2001
Finding the needle in a haystack: educing native folds from ambiguous ab initio protein structure predictions.
J. Comput. Chem., 2001

Computational studies of protein folding.
Comput. Sci. Eng., 2001

BioMolQuest: integrated database-based retrieval of protein structural and functional information.
Bioinform., 2001

1999
Protein Structure Prediction - Session Introduction.
Proceedings of the 4th Pacific Symposium on Biocomputing, 1999

1998
Optimization of Protein Structure on Lattices Using a Self-Consistent Field Approach.
J. Comput. Biol., 1998

A self-consistent field optimization approach to build energetically and geometrically correct lattice models of proteins.
Proceedings of the Second Annual International Conference on Research in Computational Molecular Biology, 1998

1997
Algorithm for rapid reconstruction of protein backbone from alpha carbon coordinates.
J. Comput. Chem., 1997

1995
An Object-Oriented Environment for Artifical Evolution of Protein Sequences: The Example of Rational Design of Transmembrane Sequences.
Proceedings of the Fourth Annual Conference on Evolutionary Programming, 1995

1994
Flexible algorithm for direct multiple alignment of protein structures and sequences.
Comput. Appl. Biosci., 1994

1993
Lattice representations of globular proteins: How good are they?
J. Comput. Chem., 1993

The ethylene group as a peptide bond mimicking unit: A theoretical conformational analysis.
J. Comput. Chem., 1993

De novo and inverse folding predictions of protein structure and dynamics.
J. Comput. Aided Mol. Des., 1993


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