Lista de obras - Juan Jesús Pérez - Dominio Público Uruguay

2,2'-Bithienyl derivatives: EPR investigation of their radical ions in solution, electrochemical properties, and crystal structure

A conformational study of the dehydroalanine: dipeptide and homopolypeptide.

artículo científico publicado en 1993

A methyl group at C7 of 11-cis-retinal allows chromophore formation but affects rhodopsin activation

artículo científico publicado en 2006

A proposed bioactive conformation of peptide T

artículo científico publicado en 1998

A theoretical study of pentacyclo-undecane cage peptides of the type [Ac-X-Y-NHMe].

artículo científico publicado en 2006

Ab initio SCF-MO incremental triplet polarizabilities of neon clusters

scholarly article by Carlos Alemán et al published December 1992 in International journal of mass spectrometry and ion processes

Amygdalin Analogs for the Treatment of Psoriasis ⬇️

artículo científico publicado el 1 de mayo de 2013

Amygdalin analogues inhibit IFN-γ signalling and reduce the inflammatory response in human epidermal keratinocytes.

artículo científico publicado en 2013

Amygdalin binds to the CD4 receptor as suggested from molecular modeling studies

artículo científico publicado en 1998

Assessment of the Sampling Performance of Multiple-Copy Dynamics versus a Unique Trajectory.

artículo científico publicado en 2016

BUNDLE: a program for building the transmembrane domains of G-protein-coupled receptors

artículo científico publicado en 1998

Blockade of the Interaction of Calcineurin with FOXO in Astrocytes Protects Against Amyloid-β-Induced Neuronal Death.

artículo científico publicado en 2016

Calcium-induced decrease of the thermal stability and chaperone activity of alpha-crystallin

artículo científico publicado en 2002

Characterization of the conformational domains of bradykinin by computational methods

scientific article published on 01 July 1995

Comparative analysis of the conformational profile of substance P using simulated annealing and molecular dynamics

artículo científico publicado en 2004

Complete maps of molecular-loop conformational spaces

Complete maps of molecular-loop conformational spaces.

artículo científico publicado en 2007

Computational investigation of the conformational profile of the four stereomers of Ac-L-Pro-c3Phe-NHMe (c3Phe= 2,3-methanophenylalanine).

artículo científico publicado en 2009

Computational study of the conformational preferences of the (R)-8-amino-pentacyclo[5.4.0.0(2,6).0(3,10).0(5,9)]undecane-8-carboxylic acid monopeptide

artículo científico publicado en 2004

Computational study of the conformational profiles of model bis-cystine cyclic peptides

scientific article published on 01 June 1996

Computational study of the free energy landscape of the miniprotein CLN025 in explicit and implicit solvent

scientific article published on 21 January 2011

Conformational Analysis of a Cyclopropane Analogue of Phenylalanine with Two Geminal Phenyl Substituents

article

Conformational diversity in contryphans from Conus venom: cis-trans isomerisation and aromatic/proline interactions in the 23-membered ring of a 7-residue peptide disulfide loop

artículo científico publicado en 2013

Conformational profile of bombesin assessed using different computational protocols.

artículo científico publicado en 2010

Conformational space search of Neuromedin C using replica exchange molecular dynamics and molecular dynamics ⬇️

artículo científico publicado el 27 de septiembre de 2010

Conformational study of the PCU cage monopeptide: a key role of some force-field parameters

artículo científico publicado en 2009

Critical Role of Electrostatic Interactions of Amino Acids at the Cytoplasmic Region of Helices 3 and 6 in Rhodopsin Conformational Properties and Activation

scientific article published in Journal of Biological Chemistry

Differential binding mode of diverse cyclooxygenase inhibitors

artículo científico publicado en 2002

Discovery of a Bradykinin B2 Partial Agonist Profile of Raloxifene in a Drug Repurposing Campaign

artículo científico publicado en 2020

Effect of Force Field Parameters on Sodium and Potassium Ion Binding to Dipalmitoyl Phosphatidylcholine Bilayers

artículo científico publicado en 2009

Effect of different treatments of long-range interactions and sampling conditions in molecular dynamic simulations of rhodopsin embedded in a dipalmitoyl phosphatidylcholine bilayer

scientific article published on 01 April 2007

Effect of ions on a dipalmitoyl phosphatidylcholine bilayer. a molecular dynamics simulation study

artículo científico publicado en 2008

Helical region of the potential energy surface of α-aminoisobutyric acid: A theoretical study

Identification of Potential Small Molecule Binding Pockets in p38α MAP Kinase.

artículo científico publicado en 2017

Identification of a Novel Inhibitory Allosteric Site in p38α

artículo científico publicado en 2016

Immunomodulatory effects of a set of amygdalin analogues on human keratinocyte cells

artículo científico publicado en 2005

Influence of the Phenyl Side Chain on the Conformation of Cyclopropane Analogues of Phenylalanine

Interactions of fatty acids with phosphatidylethanolamine membranes: X-ray diffraction and molecular dynamics studies

artículo científico publicado en 2009

Iodine Atoms: A New Molecular Feature for the Design of Potent Transthyretin Fibrillogenesis Inhibitors

artículo científico publicado en 2009

Mercury-induced dark-state instability and photobleaching alterations of the visual g-protein coupled receptor rhodopsin

artículo científico publicado en 2014

Modeling cyclooxygenase inhibition. Implication of active site hydration on the selectivity of ketoprofen analogues

artículo científico publicado en 2000

Molecular Determinants for the Activation/Inhibition of Bak Protein by BH3 Peptides

scientific article published on 30 January 2020

Molecular Features of Non-Selective Small Molecule Antagonists of the Bradykinin Receptors

scientific article published on 21 September 2020

Molecular Polarization Potential as a Molecular Descriptor to Predict Biological Activity of Dioxins and Dibenzofurans

artículo científico publicado en 2016

Molecular determinants of recognition and activation at the cerebellar benzodiazepine receptor site

artículo científico publicado en 1994

Molecular dynamics (MD) simulations of VIP and PACAP27.

artículo científico publicado en 2009

Molecular dynamics simulations of rhodopsin in different one-component lipid bilayers.

artículo científico publicado en 2007

Molecular dynamics study of kaliotoxin in water.

artículo científico publicado en 1999

Molecular dynamics study of peptide segments of the BH3 domain of the proapoptotic proteins Bak, Bax, Bid and Hrk bound to the Bcl-xL and Bcl-2 proteins.

artículo científico publicado en 2004

Molecular mechanical study of the stability of the Lys-Ala-Ala tripeptide dimer.

artículo científico publicado en 1992

Molecular mechanics and molecular dynamics simulations of the hexagonal crystalline form of the helical polyamide poly(α-isobutyl-l-aspartate)

article

Molecular mechanisms of disease for mutations at Gly-90 in rhodopsin

artículo científico publicado en 2011

Molecular modeling of the M3 acetylcholine muscarinic receptor and its binding site

artículo científico publicado en 2012

Molecular modeling study of the differential ligand-receptor interaction at the mu, delta and kappa opioid receptors

artículo científico publicado en 1999

Molecular polarization maps as a tool for studies of intermolecular interactions and chemical reactivity

scientific article published on 01 March 1994

N-acetyl-N'-methylamide derivative of (2S,3S)-1-amino-2,3-diphenylcyclopropanecarboxylic acid: theoretical analysis of the conformational impact produced by the incorporation of the second phenyl group to the cyclopropane analogue of phenylalanine.

artículo científico publicado en 2003

New Insights into the Stereochemical Requirements of the Bombesin BB1 Receptor Antagonists Binding

artículo científico publicado en 2020

New insights into the conformational requirements of B2 Bradykinin Antagonism

artículo científico publicado en 1998

New insights into the stereochemical requirements of the bradykinin B1 receptor antagonists binding

artículo científico publicado en 2016

New insights into the stereochemical requirements of the bradykinin B2 receptor antagonists binding

artículo científico publicado en 2015

Peptide T does not ameliorate experimental autoimmune encephalomyelitis (EAE) in Lewis rats

artículo científico publicado en 2000

Randomized tree construction algorithm to explore energy landscapes

artículo científico publicado en 2011

Rational design of new class of BH3-mimetics as inhibitors of the Bcl-xL protein.

artículo científico publicado en 2011

SCF-MO study of the polyglycine II structure

artículo científico publicado en 1993

Sensitive method for bromide determination in atmospheric aerosols

artículo científico publicado en 1986

Structural analysis of substance P using molecular dynamics and NMR spectroscopy

artículo científico publicado en 2007

Structural basis of the dynamic mechanism of ligand binding to cyclooxygenase.

artículo científico publicado en 1999

Structural characterization of a zinc high-affinity binding site in rhodopsin.

artículo científico publicado en 2009

Study of the conformational profile of the cyclohexane analogs of L-phenylalanine

artículo científico publicado en 2001

Study of the conformational profile of the norbornane analogues of phenylalanine

artículo científico publicado en 2002

Synthesis and biological evaluation of 1,3,4-triaryl-3-pyrrolin-2-ones, a new class of selective cyclooxygenase-2 inhibitors

artículo científico publicado en 2000

Synthesis and evaluation of diverse analogs of amygdalin as potential peptidomimetics of peptide T.

artículo científico publicado en 2005

Unusually High Pyramidal Geometry of the Bicyclic Amide Nitrogen in a Complex 7-Azabicyclo[2.2.1]heptane Derivative: Theoretical Analysis Using a Bottom-up Strategy

article

X-ray absorption and molecular dynamics study of cation binding sites in the purple membrane.

artículo científico publicado en 2007

Zinc Is Involved in Depression by Modulating G Protein-Coupled Receptor Heterodimerization

artículo científico publicado en 2015

Lista de obras de Juan Jesús Pérez

2,2'-Bithienyl derivatives: EPR investigation of their radical ions in solution, electrochemical properties, and crystal structure

A conformational study of the dehydroalanine: dipeptide and homopolypeptide.

A methyl group at C7 of 11-cis-retinal allows chromophore formation but affects rhodopsin activation

A proposed bioactive conformation of peptide T

A theoretical study of pentacyclo-undecane cage peptides of the type [Ac-X-Y-NHMe].

Ab initio SCF-MO incremental triplet polarizabilities of neon clusters

Amygdalin Analogs for the Treatment of Psoriasis ⬇️

Amygdalin analogues inhibit IFN-γ signalling and reduce the inflammatory response in human epidermal keratinocytes.

Amygdalin binds to the CD4 receptor as suggested from molecular modeling studies

Assessment of the Sampling Performance of Multiple-Copy Dynamics versus a Unique Trajectory.

BUNDLE: a program for building the transmembrane domains of G-protein-coupled receptors

Blockade of the Interaction of Calcineurin with FOXO in Astrocytes Protects Against Amyloid-β-Induced Neuronal Death.

Calcium-induced decrease of the thermal stability and chaperone activity of alpha-crystallin

Characterization of the conformational domains of bradykinin by computational methods

Comparative analysis of the conformational profile of substance P using simulated annealing and molecular dynamics

Complete maps of molecular-loop conformational spaces

Complete maps of molecular-loop conformational spaces.

Computational investigation of the conformational profile of the four stereomers of Ac-L-Pro-c3Phe-NHMe (c3Phe= 2,3-methanophenylalanine).

Computational study of the conformational preferences of the (R)-8-amino-pentacyclo[5.4.0.0(2,6).0(3,10).0(5,9)]undecane-8-carboxylic acid monopeptide

Computational study of the conformational profiles of model bis-cystine cyclic peptides

Computational study of the free energy landscape of the miniprotein CLN025 in explicit and implicit solvent

Conformational Analysis of a Cyclopropane Analogue of Phenylalanine with Two Geminal Phenyl Substituents

Conformational diversity in contryphans from Conus venom: cis-trans isomerisation and aromatic/proline interactions in the 23-membered ring of a 7-residue peptide disulfide loop

Conformational profile of bombesin assessed using different computational protocols.

Conformational space search of Neuromedin C using replica exchange molecular dynamics and molecular dynamics ⬇️

Conformational study of the PCU cage monopeptide: a key role of some force-field parameters

Critical Role of Electrostatic Interactions of Amino Acids at the Cytoplasmic Region of Helices 3 and 6 in Rhodopsin Conformational Properties and Activation

Differential binding mode of diverse cyclooxygenase inhibitors

Discovery of a Bradykinin B2 Partial Agonist Profile of Raloxifene in a Drug Repurposing Campaign

Effect of Force Field Parameters on Sodium and Potassium Ion Binding to Dipalmitoyl Phosphatidylcholine Bilayers

Effect of different treatments of long-range interactions and sampling conditions in molecular dynamic simulations of rhodopsin embedded in a dipalmitoyl phosphatidylcholine bilayer

Effect of ions on a dipalmitoyl phosphatidylcholine bilayer. a molecular dynamics simulation study

Helical region of the potential energy surface of α-aminoisobutyric acid: A theoretical study

Identification of Potential Small Molecule Binding Pockets in p38α MAP Kinase.

Identification of a Novel Inhibitory Allosteric Site in p38α

Immunomodulatory effects of a set of amygdalin analogues on human keratinocyte cells

Influence of the Phenyl Side Chain on the Conformation of Cyclopropane Analogues of Phenylalanine

Interactions of fatty acids with phosphatidylethanolamine membranes: X-ray diffraction and molecular dynamics studies

Iodine Atoms: A New Molecular Feature for the Design of Potent Transthyretin Fibrillogenesis Inhibitors

Mercury-induced dark-state instability and photobleaching alterations of the visual g-protein coupled receptor rhodopsin

Modeling cyclooxygenase inhibition. Implication of active site hydration on the selectivity of ketoprofen analogues

Molecular Determinants for the Activation/Inhibition of Bak Protein by BH3 Peptides

Molecular Features of Non-Selective Small Molecule Antagonists of the Bradykinin Receptors

Molecular Polarization Potential as a Molecular Descriptor to Predict Biological Activity of Dioxins and Dibenzofurans

Molecular determinants of recognition and activation at the cerebellar benzodiazepine receptor site

Molecular dynamics (MD) simulations of VIP and PACAP27.

Molecular dynamics simulations of rhodopsin in different one-component lipid bilayers.

Molecular dynamics study of kaliotoxin in water.

Molecular dynamics study of peptide segments of the BH3 domain of the proapoptotic proteins Bak, Bax, Bid and Hrk bound to the Bcl-xL and Bcl-2 proteins.

Molecular mechanical study of the stability of the Lys-Ala-Ala tripeptide dimer.

Molecular mechanics and molecular dynamics simulations of the hexagonal crystalline form of the helical polyamide poly(α-isobutyl-l-aspartate)

Molecular mechanisms of disease for mutations at Gly-90 in rhodopsin

Molecular modeling of the M3 acetylcholine muscarinic receptor and its binding site

Molecular modeling study of the differential ligand-receptor interaction at the mu, delta and kappa opioid receptors

Molecular polarization maps as a tool for studies of intermolecular interactions and chemical reactivity

N-acetyl-N'-methylamide derivative of (2S,3S)-1-amino-2,3-diphenylcyclopropanecarboxylic acid: theoretical analysis of the conformational impact produced by the incorporation of the second phenyl group to the cyclopropane analogue of phenylalanine.

New Insights into the Stereochemical Requirements of the Bombesin BB1 Receptor Antagonists Binding

New insights into the conformational requirements of B2 Bradykinin Antagonism

New insights into the stereochemical requirements of the bradykinin B1 receptor antagonists binding

New insights into the stereochemical requirements of the bradykinin B2 receptor antagonists binding

Peptide T does not ameliorate experimental autoimmune encephalomyelitis (EAE) in Lewis rats

Randomized tree construction algorithm to explore energy landscapes

Rational design of new class of BH3-mimetics as inhibitors of the Bcl-xL protein.

SCF-MO study of the polyglycine II structure

Sensitive method for bromide determination in atmospheric aerosols

Structural analysis of substance P using molecular dynamics and NMR spectroscopy

Structural basis of the dynamic mechanism of ligand binding to cyclooxygenase.

Structural characterization of a zinc high-affinity binding site in rhodopsin.

Study of the conformational profile of the cyclohexane analogs of L-phenylalanine

Study of the conformational profile of the norbornane analogues of phenylalanine

Synthesis and biological evaluation of 1,3,4-triaryl-3-pyrrolin-2-ones, a new class of selective cyclooxygenase-2 inhibitors

Synthesis and evaluation of diverse analogs of amygdalin as potential peptidomimetics of peptide T.

Unusually High Pyramidal Geometry of the Bicyclic Amide Nitrogen in a Complex 7-Azabicyclo[2.2.1]heptane Derivative: Theoretical Analysis Using a Bottom-up Strategy

X-ray absorption and molecular dynamics study of cation binding sites in the purple membrane.

Zinc Is Involved in Depression by Modulating G Protein-Coupled Receptor Heterodimerization