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Employment (1)

Friedrich-Alexander-Universität Erlangen-Nürnberg: Erlangen, DE

(Computer-Chemistry-Center)
Employment
Source: Self-asserted source
Jacqueline C. Calderón

Works (10)

Determinants of Neutral Antagonism and Inverse Agonism in the β<sub>2</sub>-Adrenergic Receptor

Journal of Chemical Information and Modeling
2024-03-06 | Journal article
DOI: 10.1021/acs.jcim.3c01763
Part of ISSN: 1549-9596
Part of ISSN: 1549-960X
Contributors: Jacqueline C. Calderón; Passainte Ibrahim; Dorothea Gobbo; Francesco Luigi Gervasio; Timothy Clark
Source: Self-asserted source
Jacqueline C. Calderón

Extended Metadynamics Protocol for Binding/Unbinding Free Energies of Peptide Ligands to Class A G-Protein-Coupled Receptors

Journal of Chemical Information and Modeling
2024-01-08 | Journal article
DOI: 10.1021/acs.jcim.3c01574
Part of ISSN: 1549-9596
Part of ISSN: 1549-960X
Contributors: Jacqueline C. Calderón; Eva Plut; Max Keller; Chiara Cabrele; Oliver Reiser; Francesco Luigi Gervasio; Timothy Clark
Source: Self-asserted source
Jacqueline C. Calderón

Stereochemical Stability of Planar-Chiral Benzazepine Tricyclics: Inversion Energies of P- and S-Alkene Ligands

The Journal of Organic Chemistry
2023-12-01 | Journal article
DOI: 10.1021/acs.joc.3c01447
Part of ISSN: 0022-3263
Part of ISSN: 1520-6904
Contributors: Jacqueline C. Calderón; Alberto Herrera; Frank Heinemann; Jens Langer; Anthony Linden; Ahmed Chelouan; Alexander Grasruck; Rafael Añez; Timothy Clark; Romano Dorta
Source: Self-asserted source
Jacqueline C. Calderón

Activation/Deactivation Free-Energy Profiles for the β<sub>2</sub>-Adrenergic Receptor: Ligand Modes of Action

Journal of Chemical Information and Modeling
2023-10-23 | Journal article
DOI: 10.1021/acs.jcim.3c00805
Part of ISSN: 1549-9596
Part of ISSN: 1549-960X
Contributors: Jacqueline C. Calderón; Passainte Ibrahim; Dorothea Gobbo; Francesco Luigi Gervasio; Timothy Clark
Source: Self-asserted source
Jacqueline C. Calderón

Stereochemistry-Driven Interactions of α,γ-Peptide Ligands with the Neuropeptide Y Y<sub>4</sub>-Receptor

Journal of Medicinal Chemistry
2023-07-27 | Journal article
DOI: 10.1021/acs.jmedchem.3c00363
Part of ISSN: 0022-2623
Part of ISSN: 1520-4804
Contributors: Eva Plut; Jacqueline C. Calderón; Vesna Stanojlović; Albert Owusu Gattor; Carina Höring; Laura Joyce Humphrys; Adam Konieczny; Sabine Kerres; Mario Schubert; Max Keller et al.
Source: Self-asserted source
Jacqueline C. Calderón

General Metadynamics Protocol To Simulate Activation/Deactivation of Class A GPCRs: Proof of Principle for the Serotonin Receptor

Journal of Chemical Information and Modeling
2023-05-22 | Journal article
DOI: 10.1021/acs.jcim.3c00208
Part of ISSN: 1549-9596
Part of ISSN: 1549-960X
Contributors: Jacqueline C. Calderón; Passainte Ibrahim; Dorothea Gobbo; Francesco Luigi Gervasio; Timothy Clark
Source: Self-asserted source
Jacqueline C. Calderón

Discovering the root of the stability of hexagonal WO3 surfaces from a periodic DFT perspective

Applied Surface Science
2020-03 | Journal article
DOI: 10.1016/j.apsusc.2019.144719
Part of ISSN: 0169-4332
Contributors: Oscar Hurtado-Aular; Rafael Añez; Aníbal Sierraalta; Jacqueline Calderón
Source: Self-asserted source
Jacqueline C. Calderón

Effect of cavity size on the adsorption of small molecules on two isoreticular cobalt-based MOF: An ONIOM approach

Computational and Theoretical Chemistry
2019-05 | Journal article
DOI: 10.1016/j.comptc.2019.03.027
Part of ISSN: 2210-271X
Contributors: Jacqueline Calderón; Rafael Añez; Paola Alejos
Source: Self-asserted source
Jacqueline C. Calderón

Effect of the chemical nature and concentration of palladium (II) precursors on the palladium deposition by atomic hydrogen electrochemically assisted

International Journal of Hydrogen Energy
2011-04 | Journal article
DOI: 10.1016/j.ijhydene.2010.12.119
Part of ISSN: 0360-3199
Contributors: Luis F. D′Elia Camacho; J. Moncada; J. Calderón; Z. Puentes; K. Saavedra
Source: Self-asserted source
Jacqueline C. Calderón

Assisted Electrochemical Hydroconversion of Heterocompounds Present in Fuel and Oil Using Active Hydrogen Passing through a Pd Membrane

Petroleum Science and Technology
2011-01-05 | Journal article
DOI: 10.1080/10916460903394151
Part of ISSN: 1091-6466
Part of ISSN: 1532-2459
Contributors: L. F. D'elia Camacho; Z. Puentes; J. Calderón; E. Lucena; J. Moncada; K. Saavedra
Source: Self-asserted source
Jacqueline C. Calderón
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