List of works - 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.

scientific article published on December 1993

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

scientific article published on 06 October 2006

A proposed bioactive conformation of peptide T

scientific article published on 01 January 1998

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

scientific article published in February 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 ⬇️

scientific article published on May 1, 2013

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

scientific article published in December 2013

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

scientific article published on 01 April 1998

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

scientific article published on 6 September 2016

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

scientific article

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

scientific article published on 12 April 2016

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

scientific article published in November 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

scientific article published in December 2004

Complete maps of molecular-loop conformational spaces

Complete maps of molecular-loop conformational spaces.

scientific article published in October 2007

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

scientific article published in January 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

scientific article

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

scientific article

Conformational profile of bombesin assessed using different computational protocols.

scientific article

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

scientific article published on September 27, 2010

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

scientific article published on 01 April 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

scientific article published in March 2002

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

scientific article published on 29 December 2020

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

scientific article published on August 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

scientific article

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.

scientific article

Identification of a Novel Inhibitory Allosteric Site in p38α

scientific article

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

scientific article published in November 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

scientific article

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

scientific article

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

scientific article published on 16 June 2014

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

scientific article published on 01 June 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

scientific article published in October 2016

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

scientific article published on 01 October 1994

Molecular dynamics (MD) simulations of VIP and PACAP27.

scientific article published in May 2009

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

scientific article

Molecular dynamics study of kaliotoxin in water.

scientific article

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.

scientific article

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

scientific article published on June 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

scientific article published on 22 September 2011

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

scientific article published on 27 February 2012

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

scientific article published in July 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.

scientific article published in September 2003

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

scientific article published on 17 August 2020

New insights into the conformational requirements of B2 Bradykinin Antagonism

scientific article published on 01 September 1998

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

scientific article published in July 2016

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

scientific article published on 24 December 2015

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

scientific article published on 01 July 2000

Randomized tree construction algorithm to explore energy landscapes

scientific article published on 14 September 2011

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

scientific article published on 13 May 2011

SCF-MO study of the polyglycine II structure

scientific article published on 01 April 1993

Sensitive method for bromide determination in atmospheric aerosols

scientific article published on 01 April 1986

Structural analysis of substance P using molecular dynamics and NMR spectroscopy

scientific article

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

scientific article

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

scientific article published on 11 February 2009

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

scientific article published in June 2001

Study of the conformational profile of the norbornane analogues of phenylalanine

scientific article published in June 2002

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

scientific article published on 01 August 2000

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

scientific article published in March 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.

scientific article published in May 2007

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

scientific article published on 9 April 2015

List of works by 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