Peter W. Rose

发表

RCSB Protein Data Bank: biological macromolecular structures enabling research and education in fundamental biology, biomedicine, biotechnology and energy

David S. Goodsell, Zukang Feng, John D. Westbrook, 2018, Nucleic Acids Res..

The RCSB protein data bank: integrative view of protein, gene and 3D structural information

David S. Goodsell, Andreas Prlic, Zukang Feng, 2016, Nucleic Acids Res..

The need for scientific software engineering in the pharmaceutical industry

Peter W. Rose, Brock A. Luty, 2016, Journal of Computer-Aided Molecular Design.

Integrating genomic information with protein sequence and 3D atomic level structure at the RCSB protein data bank

Andreas Prlic, Stephen K. Burley, Cole H. Christie, 2016, Bioinform..

Quality assurance for the query and distribution systems of the RCSB Protein Data Bank

Andreas Prlic, Philip E. Bourne, Helen M. Berman, 2011, Database J. Biol. Databases Curation.

Deciphering common failures in molecular docking of ligand-protein complexes

Gennady Verkhivker, Peter W. Rose, Paul A. Rejto, 2000, J. Comput. Aided Mol. Des..

Learning from reaction databases

Johann Gasteiger, John R. Rose, Peter W. Rose, 2008 .

Analyzing the symmetrical arrangement of structural repeats in proteins with CE-Symm

Philip E. Bourne, Andreas Prlić, Peter W. Rose, 2019, PLoS Comput. Biol..

MMTF - an efficient file format for the transmission, visualization, and analysis of macromolecular structures

Anthony R. Bradley, Jose M. Duarte, Andreas Prlić, 2017 .

Integration of open access literature into the RCSB Protein Data Bank using BioLit

Andreas Prlic, Philip E. Bourne, Peter W. Rose, 2010, BMC Bioinformatics.

Web-based molecular graphics for large complexes

Andreas Prlic, Anthony R. Bradley, Jose M. Duarte, 2016, Web3D.

Thermodynamics and Kinetics of Ligand-Protein Binding Studied with the Weighted Histogram Analysis Method and Simulated Annealing

Gennady Verkhivker, Peter W. Rose, Paul A. Rejto, 1999, Pacific Symposium on Biocomputing.

The RCSB Protein Data Bank: views of structural biology for basic and applied research and education

David S. Goodsell, Andreas Prlic, Philip E. Bourne, 2014, Nucleic Acids Res..

Scalable 3D molecular graphics on the web

Jose M. Duarte, Andreas Prlić, Alexander S. Rose, 2016 .

Will Widgets and Semantic Tagging Change Computational Biology?

Andreas Prlic, Philip E. Bourne, Roland L. Dunbrack, 2010, PLoS Comput. Biol..

RCSB PDB Mobile: iOS and Android mobile apps to provide data access and visualization to the RCSB Protein Data Bank

Andreas Prlic, Philip E. Bourne, Helen M. Berman, 2015, Bioinform..

MMTF—An efficient file format for the transmission, visualization, and analysis of macromolecular structures

Andreas Prlic, Anthony R. Bradley, Antonín Pavelka, 2017, PLoS Comput. Biol..

The RCSB Protein Data Bank: redesigned web site and web services

David S. Goodsell, Andreas Prlic, Philip E. Bourne, 2010, Nucleic Acids Res..

Ten Simple Rules for Reproducible Research in Jupyter Notebooks pdf

Ilkay Altintas, Niema Moshiri, Rob Knight, 2018, ArXiv.

Compressive structural bioinformatics: High efficiency 3D structure compression

Jose M. Duarte, Andreas Prlić, Alexander S. Rose, 2016 .

The RCSB Protein Data Bank: new resources for research and education

David S. Goodsell, Andreas Prlic, Philip E. Bourne, 2012, Nucleic Acids Res..

BioJava-ModFinder: identification of protein modifications in 3D structures from the Protein Data Bank

Dong Xu, Andreas Prlic, Philip E. Bourne, 2017, Bioinform..

BioJava: an open-source framework for bioinformatics in 2012

Andreas Prlic, Philip E. Bourne, Julius O. B. Jacobsen, 2012, Bioinform..

The CAFA challenge reports improved protein function prediction and new functional annotations for hundreds of genes through experimental screens

Tapio Salakoski, Feng Zhang, Paolo Fontana, 2019, Genome Biology.

Scalable analysis and visualization of large 3D macromolecular complexes

Jose M. Duarte, Andreas Prlić, Alexander S. Rose, 2016 .

Pre-calculated protein structure alignments at the RCSB PDB website

Andreas Prlic, Philip E. Bourne, Adam Godzik, 2010, Bioinform..

Scalable, Interactive, and Reproducible Data Mining of 3D Macromolecular Structures

Yue Yu, Peter W. Rose, Shih-Cheng Huang, 2019 .

NGL viewer: web‐based molecular graphics for large complexes

Andreas Prlic, Anthony R. Bradley, Jose M. Duarte, 2018, Bioinform..

The Protein Data Bank: Overview and Tools for Drug Discovery

Helen M. Berman, Shuchismita Dutta, Andreas Prlić, 2015 .

Parallel simulated tempering dynamics of ligand–protein binding with ensembles of protein conformations

Peter W. Rose, Paul A. Rejto, Daniel K. Gehlhaar, 2001 .

Towards the Automatic Generation of a Mass Spectrum from the Structure of a Compound

Johann Gasteiger, Peter W. Rose, K. Rafeiner, 1990 .

RCSB Protein Data Bank: Views of structural biology for basic and applied research

John D. Westbrook, Helen M. Berman, Stephen K. Burley, 2016 .

The CAFA challenge reports improved protein function prediction and new functional annotations for hundreds of genes through experimental screens

Jari Björne, Tapio Salakoski, Giorgio Valentini, 2019, Genome Biology.

Computer-assisted prediction of the degradation of chemicals: hydrolysis of amides and benzoylphenylureas

Johann Gasteiger, Peter W. Rose, J. Gasteiger, 1995 .

A Collection of Computer Methods for Synthesis Design and Reaction Prediction

Johann Gasteiger, Peter W. Rose, J. Gasteiger, 2010 .