List of works - Josep Lluís Gelpí

A consensus view of protein dynamics

scientific article

A deletion at ADAMTS9-MAGI1 locus is associated with psoriatic arthritis risk.

scientific article published on 19 May 2015

A fast method for the determination of fractional contributions to solvation in proteins.

scientific article published on 25 September 2006

A genome-wide association study identifies a novel locus at 6q22.1 associated with ulcerative colitis

scientific article

A genome-wide association study on a southern European population identifies a new Crohn's disease susceptibility locus at RBX1-EP300

scientific journal article

A novel mutation (V89L) in the presenilin 1 gene in a family with early onset Alzheimer's disease and marked behavioural disturbances.

scientific article

A presenilin 1 mutation (Ser169Pro) associated with early-onset AD and myoclonic seizures

scientific article published in February 1999

Adenovirus-mediated wt-p16 reintroduction induces cell cycle arrest or apoptosis in pancreatic cancer

scientific article published in October 2001

BIGNASim: a NoSQL database structure and analysis portal for nucleic acids simulation data

scientific article

BioExcel Building Blocks Workflows (BioBB-Wfs), an integrated web-based platform for biomolecular simulations

scientific article published on 02 May 2022

BioExcel Building Blocks, a software library for interoperable biomolecular simulation workflows

scientific article published on 10 September 2019

BioSWR--semantic web services registry for bioinformatics

scientific article

Classical molecular interaction potentials: improved setup procedure in molecular dynamics simulations of proteins.

scientific article published in December 2001

Coarse-grained representation of protein flexibility. Foundations, successes, and shortcomings.

scientific article published on January 2011

Comprehensive characterization of complex structural variations in cancer by directly comparing genome sequence reads

scientific article

Continuum and discrete calculation of fractional contributions to solvation free energy.

scientific article published in October 2003

Contribution of engineered electrostatic interactions to the stability of cytosolic malate dehydrogenase

scientific article published in November 2001

D-2-Hydroxy-4-Methylvalerate Dehydrogenase from Lactobacillus Delbrueckii Subsp. Bulgaricus- I. Kinetic Mechanism and pH Dependence of Kinetic Parameters, Coenzyme Binding and Substrate Inhibition

scientific article published on 01 February 1997

D-2-Hydroxy-4-Methylvalerate Dehydrogenase from Lactobacillus Delbrueckii Subsp. Bulgaricus- II. Mutagenic analysis of catalytically important residues

scientific article published on 01 February 1997

Dissection of the recognition properties of p38 MAP kinase. Determination of the binding mode of a new pyridinyl-heterocycle inhibitor family

scientific article

Effects of cadmium and mercury on the upper part of skeletal muscle glycolysis in mice

scientific article (publication date: 2014)

Efficient Relaxation of Protein-Protein Interfaces by Discrete Molecular Dynamics Simulations

scientific article published on 28 December 2012

Epigenomic analysis detects widespread gene-body DNA hypomethylation in chronic lymphocytic leukemia.

scientific article published on 14 October 2012

Evidence for transcript networks composed of chimeric RNAs in human cells

scientific article

Exome sequencing identifies recurrent mutations of the splicing factor SF3B1 gene in chronic lymphocytic leukemia

scientific article

Exploring early stages of the chemical unfolding of proteins at the proteome scale

scientific article (publication date: 2013)

Factors affecting L-malate activation of mitochondrial malate dehydrogenase from chicken liver

scientific article published on 01 January 1990

Finding Conformational Transition Pathways from Discrete Molecular Dynamics Simulations.

scientific article published on 6 September 2012

FlexServ: an integrated tool for the analysis of protein flexibility.

scientific article published on 7 May 2009

Four-stranded DNA structure stabilized by a novel G:C:A:T tetrad

scientific article (publication date: 14 May 2003)

Functional and structural characterization of the first prokaryotic member of the L-amino acid transporter (LAT) family: a model for APC transporters

scientific article published on 6 March 2007

Genome-Wide Pathway Analysis Identifies Genetic Pathways Associated with Psoriasis

scientific article published on 29 December 2015

Glutaryl-CoA Dehydrogenase Deficiency in Spain: Evidence of Two Groups of Patients, Genetically, and Biochemically Distinct

article

Identification of risk loci for Crohn's disease phenotypes using a genome-wide association study

scientific article published on 31 December 2014

Inntags: small self-structured epitopes for innocuous protein tagging

scientific article published on 31 August 2015

Kinetic studies of the regulation of mitochondrial malate dehydrogenase by citrate ⬇️

scientific article published on April 1, 1992

Ligand-induced changes in the binding sites of proteins

scientific article published on 01 July 2002

Linear response theory: an alternative to PB and GB methods for the analysis of molecular dynamics trajectories?

scientific article published in November 2004

MDWeb and MDMoby: an integrated web-based platform for molecular dynamics simulations.

scientific article published on 21 March 2012

MoDEL (Molecular Dynamics Extended Library): a database of atomistic molecular dynamics trajectories

scientific article

Molecular dynamics simulations: advances and applications

scientific article

Mutations in JMJD1C are involved in Rett syndrome and intellectual disability

scientific article published on 16 July 2015

NAFlex: a web server for the study of nucleic acid flexibility.

scientific article

Nature of artifactual bands in the electropherograms of malate dehydrogenase isoenzymes

Non-coding recurrent mutations in chronic lymphocytic leukaemia

scientific article published in Nature

Obligatory amino acid exchange via systems bo,+-like and y+L-like. A tertiary active transport mechanism for renal reabsorption of cystine and dibasic amino acids.

scientific article published on July 1996

PACSAB: Coarse-Grained Force Field for the Study of Protein-Protein Interactions and Conformational Sampling in Multiprotein Systems

scientific article published on 20 November 2015

PMUT: a web-based tool for the annotation of pathological mutations on proteins.

scientific article published on 6 May 2005

PMut: a web-based tool for the annotation of pathological variants on proteins, 2017 update.

scientific article published on 27 April 2017

Parmbsc1: a refined force field for DNA simulations ⬇️

scientific article

Partition of protein solvation into group contributions from molecular dynamics simulations.

scientific article

Properties of triple helices formed by parallel-stranded hairpins containing 8-aminopurines.

scientific article published on June 2002

Purification of malate dehydrogenase from chicken liver mitochondria. Existence of a small quantity of cytosolic isoenzyme

scientific article published in January 1988

Replacement of terminal cysteine with histidine in the metallothionein α and β domains maintains its binding capacity

scientific article published on 01 January 1999

Risk variants for psoriasis vulgaris in a large case–control collection and association with clinical subphenotypes

scientific article published on 19 July 2012

Role of Pre-A motif in nitric oxide scavenging by truncated hemoglobin, HbN, of Mycobacterium tuberculosis.

scientific article published on 27 March 2009

SAR and 3D-QSAR studies on thiadiazolidinone derivatives: exploration of structural requirements for glycogen synthase kinase 3 inhibitors.

scientific article published in November 2005

Sequential amino acid exchange across b(0,+)-like system in chicken brush border jejunum.

scientific article

Structural and energetic study of cation-π-cation interactions in proteins

scientific article published on 29 March 2017

Synthesis, Structural Analysis, and Biological Evaluation of Thioxoquinazoline Derivatives as Phosphodiesterase 7 Inhibitors

scientific article

Theoretical Study of the Mechanisms of Substrate Recognition by Catalase

scientific article published on 01 October 2001

Theoretical Study of the Truncated Hemoglobin HbN: Exploring the Molecular Basis of the NO Detoxification Mechanism

scientific article published on 01 March 2005

Thienylhalomethylketones: Irreversible glycogen synthase kinase 3 inhibitors as useful pharmacological tools.

scientific article published on 22 August 2009

Unconventional interactions between water and heterocyclic nitrogens in protein structures

scientific article

Unveiling Case-Control Relationships in Designing a Simple and Powerful Method for Detecting Gene-Gene Interactions

article

alpha-Thalassaemia due to a single codon deletion in the alpha1-globin gene. Computational structural analysis of the new alpha-chain variant. Mutations in brief no. 132. Online

scientific article published on 01 January 1998

List of works by Josep Lluís Gelpí

A consensus view of protein dynamics

A deletion at ADAMTS9-MAGI1 locus is associated with psoriatic arthritis risk.

A fast method for the determination of fractional contributions to solvation in proteins.

A genome-wide association study identifies a novel locus at 6q22.1 associated with ulcerative colitis

A genome-wide association study on a southern European population identifies a new Crohn's disease susceptibility locus at RBX1-EP300

A novel mutation (V89L) in the presenilin 1 gene in a family with early onset Alzheimer's disease and marked behavioural disturbances.

A presenilin 1 mutation (Ser169Pro) associated with early-onset AD and myoclonic seizures

Adenovirus-mediated wt-p16 reintroduction induces cell cycle arrest or apoptosis in pancreatic cancer

BIGNASim: a NoSQL database structure and analysis portal for nucleic acids simulation data

BioExcel Building Blocks Workflows (BioBB-Wfs), an integrated web-based platform for biomolecular simulations

BioExcel Building Blocks, a software library for interoperable biomolecular simulation workflows

BioSWR--semantic web services registry for bioinformatics

Classical molecular interaction potentials: improved setup procedure in molecular dynamics simulations of proteins.

Coarse-grained representation of protein flexibility. Foundations, successes, and shortcomings.

Comprehensive characterization of complex structural variations in cancer by directly comparing genome sequence reads

Continuum and discrete calculation of fractional contributions to solvation free energy.

Contribution of engineered electrostatic interactions to the stability of cytosolic malate dehydrogenase

D-2-Hydroxy-4-Methylvalerate Dehydrogenase from Lactobacillus Delbrueckii Subsp. Bulgaricus- I. Kinetic Mechanism and pH Dependence of Kinetic Parameters, Coenzyme Binding and Substrate Inhibition

D-2-Hydroxy-4-Methylvalerate Dehydrogenase from Lactobacillus Delbrueckii Subsp. Bulgaricus- II. Mutagenic analysis of catalytically important residues

Dissection of the recognition properties of p38 MAP kinase. Determination of the binding mode of a new pyridinyl-heterocycle inhibitor family

Effects of cadmium and mercury on the upper part of skeletal muscle glycolysis in mice

Efficient Relaxation of Protein-Protein Interfaces by Discrete Molecular Dynamics Simulations

Epigenomic analysis detects widespread gene-body DNA hypomethylation in chronic lymphocytic leukemia.

Evidence for transcript networks composed of chimeric RNAs in human cells

Exome sequencing identifies recurrent mutations of the splicing factor SF3B1 gene in chronic lymphocytic leukemia

Exploring early stages of the chemical unfolding of proteins at the proteome scale

Factors affecting L-malate activation of mitochondrial malate dehydrogenase from chicken liver

Finding Conformational Transition Pathways from Discrete Molecular Dynamics Simulations.

FlexServ: an integrated tool for the analysis of protein flexibility.

Four-stranded DNA structure stabilized by a novel G:C:A:T tetrad

Functional and structural characterization of the first prokaryotic member of the L-amino acid transporter (LAT) family: a model for APC transporters

Genome-Wide Pathway Analysis Identifies Genetic Pathways Associated with Psoriasis

Glutaryl-CoA Dehydrogenase Deficiency in Spain: Evidence of Two Groups of Patients, Genetically, and Biochemically Distinct

Identification of risk loci for Crohn's disease phenotypes using a genome-wide association study

Inntags: small self-structured epitopes for innocuous protein tagging

Kinetic studies of the regulation of mitochondrial malate dehydrogenase by citrate ⬇️

Ligand-induced changes in the binding sites of proteins

Linear response theory: an alternative to PB and GB methods for the analysis of molecular dynamics trajectories?

MDWeb and MDMoby: an integrated web-based platform for molecular dynamics simulations.

MoDEL (Molecular Dynamics Extended Library): a database of atomistic molecular dynamics trajectories

Molecular dynamics simulations: advances and applications

Mutations in JMJD1C are involved in Rett syndrome and intellectual disability

NAFlex: a web server for the study of nucleic acid flexibility.

Nature of artifactual bands in the electropherograms of malate dehydrogenase isoenzymes

Non-coding recurrent mutations in chronic lymphocytic leukaemia

Obligatory amino acid exchange via systems bo,+-like and y+L-like. A tertiary active transport mechanism for renal reabsorption of cystine and dibasic amino acids.

PACSAB: Coarse-Grained Force Field for the Study of Protein-Protein Interactions and Conformational Sampling in Multiprotein Systems

PMUT: a web-based tool for the annotation of pathological mutations on proteins.

PMut: a web-based tool for the annotation of pathological variants on proteins, 2017 update.

Parmbsc1: a refined force field for DNA simulations ⬇️

Partition of protein solvation into group contributions from molecular dynamics simulations.

Properties of triple helices formed by parallel-stranded hairpins containing 8-aminopurines.

Purification of malate dehydrogenase from chicken liver mitochondria. Existence of a small quantity of cytosolic isoenzyme

Replacement of terminal cysteine with histidine in the metallothionein α and β domains maintains its binding capacity

Risk variants for psoriasis vulgaris in a large case–control collection and association with clinical subphenotypes

Role of Pre-A motif in nitric oxide scavenging by truncated hemoglobin, HbN, of Mycobacterium tuberculosis.

SAR and 3D-QSAR studies on thiadiazolidinone derivatives: exploration of structural requirements for glycogen synthase kinase 3 inhibitors.

Sequential amino acid exchange across b(0,+)-like system in chicken brush border jejunum.

Structural and energetic study of cation-π-cation interactions in proteins

Synthesis, Structural Analysis, and Biological Evaluation of Thioxoquinazoline Derivatives as Phosphodiesterase 7 Inhibitors

Theoretical Study of the Mechanisms of Substrate Recognition by Catalase

Theoretical Study of the Truncated Hemoglobin HbN: Exploring the Molecular Basis of the NO Detoxification Mechanism

Thienylhalomethylketones: Irreversible glycogen synthase kinase 3 inhibitors as useful pharmacological tools.

Unconventional interactions between water and heterocyclic nitrogens in protein structures

Unveiling Case-Control Relationships in Designing a Simple and Powerful Method for Detecting Gene-Gene Interactions

alpha-Thalassaemia due to a single codon deletion in the alpha1-globin gene. Computational structural analysis of the new alpha-chain variant. Mutations in brief no. 132. Online