Lista de obras - Peter W. Rose - Dominio Público Uruguay

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

artículo científico publicado en 2019

Automated derivation of reaction rules for the EROS 6.0 system for reaction prediction

BioJava 5: A community driven open-source bioinformatics library

artículo científico publicado en 2019

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

artículo científico publicado en 2017

BioJava: an open-source framework for bioinformatics in 2012

artículo científico publicado en 2012

Citing a Data Repository: A Case Study of the Protein Data Bank

artículo científico publicado en 2015

Complexity and simplicity of ligand-macromolecule interactions: the energy landscape perspective

artículo científico publicado en 2002

Computational detection of the binding-site hot spot at the remodeled human growth hormone-receptor interface.

artículo científico publicado en 2003

Deciphering common failures in molecular docking of ligand-protein complexes.

artículo científico publicado en 2000

Design, synthesis, and biological evaluation of novel human 5'-deoxy-5'-methylthioadenosine phosphorylase (MTAP) substrates

artículo científico publicado en 2005

Developing a Best Practices Training Program in Cyberinfrastructure-Enabled Machine Learning Research

artículo científico publicado en 2023

Hierarchy of simulation models in predicting molecular recognition mechanisms from the binding energy landscapes: structural analysis of the peptide complexes with SH2 domains.

artículo científico publicado en 2001

Hierarchy of simulation models in predicting structure and energetics of the Src SH2 domain binding to tyrosyl phosphopeptides

artículo científico publicado en 2002

Impact of genetic variation on three dimensional structure and function of proteins

artículo científico publicado en 2017

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

artículo científico publicado en 2016

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

artículo científico publicado en 2010

Investigation of protein quaternary structure via stoichiometry and symmetry ınformation

artículo científico publicado en 2018

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

artículo científico publicado en 2017

Monte Carlo simulations of the peptide recognition at the consensus binding site of the constant fragment of human immunoglobulin G: the energy landscape analysis of a hot spot at the intermolecular interface

artículo científico publicado en 2002

Multidimensional explorations into chemical reactivity: the reactivity space

NGL viewer: web-based molecular graphics for large complexes

scholarly article by Alexander S Rose published in May 2018

Navigating ligand–protein binding free energy landscapes: universality and diversity of protein folding and molecular recognition mechanisms

Pre-calculated protein structure alignments at the RCSB PDB website

artículo científico publicado en 2010

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

artículo científico publicado en 2011

Quaternary structure evaluation tool for protein assemblies

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

artículo científico publicado en 2014

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

article

Recon3D enables a three-dimensional view of gene variation in human metabolism.

artículo científico publicado en 2018

Simulating disorder-order transitions in molecular recognition of unstructured proteins: where folding meets binding

artículo científico publicado en 2003

Structure-based design, synthesis, and biological evaluation of irreversible human rhinovirus 3C protease inhibitors. 8. Pharmacological optimization of orally bioavailable 2-pyridone-containing peptidomimetics.

artículo científico publicado en 2003

Systematic detection of internal symmetry in proteins using CE-Symm

artículo científico publicado en 2014

Ten simple rules for writing and sharing computational analyses in Jupyter Notebooks

scientific article published on 25 July 2019

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

scientific article published on 19 November 2019

The Pfizer Crystal Structure Database: An essential tool for structure‐based design at Pfizer

artículo científico publicado en 2022

The Protein Data Bank: Overview and Tools for Drug Discovery

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

artículo científico publicado en 2013

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

artículo científico publicado en 2011

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

artículo científico publicado en 2015

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

artículo científico publicado en 2016

The evolution of the RCSB Protein Data Bank website

The need for scientific software engineering in the pharmaceutical industry

artículo científico publicado en 2016

Thermodynamics and kinetics of ligand-protein binding studied with the weighted histogram analysis method and simulated annealing

artículo científico publicado en 1999

Towards an efficient compression of 3D coordinates of macromolecular structures

artículo científico publicado en 2017

Towards understanding the mechanisms of molecular recognition by computer simulations of ligand-protein interactions

artículo científico publicado en 1999

Trendspotting in the Protein Data Bank

artículo científico publicado en 2013

Web-based molecular graphics for large complexes

Will widgets and semantic tagging change computational biology? ⬇️

artículo científico publicado en 2010

Lista de obras de Peter W. Rose

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

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

Automated derivation of reaction rules for the EROS 6.0 system for reaction prediction

BioJava 5: A community driven open-source bioinformatics library

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

BioJava: an open-source framework for bioinformatics in 2012

Citing a Data Repository: A Case Study of the Protein Data Bank

Complexity and simplicity of ligand-macromolecule interactions: the energy landscape perspective

Computational detection of the binding-site hot spot at the remodeled human growth hormone-receptor interface.

Deciphering common failures in molecular docking of ligand-protein complexes.

Design, synthesis, and biological evaluation of novel human 5'-deoxy-5'-methylthioadenosine phosphorylase (MTAP) substrates

Developing a Best Practices Training Program in Cyberinfrastructure-Enabled Machine Learning Research

Hierarchy of simulation models in predicting molecular recognition mechanisms from the binding energy landscapes: structural analysis of the peptide complexes with SH2 domains.

Hierarchy of simulation models in predicting structure and energetics of the Src SH2 domain binding to tyrosyl phosphopeptides

Impact of genetic variation on three dimensional structure and function of proteins

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

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

Investigation of protein quaternary structure via stoichiometry and symmetry ınformation

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

Monte Carlo simulations of the peptide recognition at the consensus binding site of the constant fragment of human immunoglobulin G: the energy landscape analysis of a hot spot at the intermolecular interface

Multidimensional explorations into chemical reactivity: the reactivity space

NGL viewer: web-based molecular graphics for large complexes

Navigating ligand–protein binding free energy landscapes: universality and diversity of protein folding and molecular recognition mechanisms

Pre-calculated protein structure alignments at the RCSB PDB website

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

Quaternary structure evaluation tool for protein assemblies

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

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

Recon3D enables a three-dimensional view of gene variation in human metabolism.

Simulating disorder-order transitions in molecular recognition of unstructured proteins: where folding meets binding

Structure-based design, synthesis, and biological evaluation of irreversible human rhinovirus 3C protease inhibitors. 8. Pharmacological optimization of orally bioavailable 2-pyridone-containing peptidomimetics.

Systematic detection of internal symmetry in proteins using CE-Symm

Ten simple rules for writing and sharing computational analyses in Jupyter Notebooks

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

The Pfizer Crystal Structure Database: An essential tool for structure‐based design at Pfizer

The Protein Data Bank: Overview and Tools for Drug Discovery

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

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

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

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

The evolution of the RCSB Protein Data Bank website

The need for scientific software engineering in the pharmaceutical industry

Thermodynamics and kinetics of ligand-protein binding studied with the weighted histogram analysis method and simulated annealing

Towards an efficient compression of 3D coordinates of macromolecular structures

Towards understanding the mechanisms of molecular recognition by computer simulations of ligand-protein interactions

Trendspotting in the Protein Data Bank

Web-based molecular graphics for large complexes

Will widgets and semantic tagging change computational biology? ⬇️