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A Spanish Chemoinformatics GitBook for Chemical Data retrieval and Analysis using Python Programming

Fernanda I. Saldívar-González, Diana L. Prado-Romero, B. Raziel Cedillo-González, Ana L. Chávez-Hernández, Juan F. Avellaneda-Tamayo, Alejandro Gómez-García, Luis Juárez-Rivera, José L. Medina-Franco

Version 1 posted 12 January 2024

246

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Physical Chemistry

Working Paper

A Polarizable Valence Electron Density Based Force Field for High-Energy Interactions between Atoms and Molecules

José Romero, Paulo Limão-Vieira, Thana Maihom, Kersti Hermansson, Michael Probst

Version 2 posted 27 March 2024

170

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Biological and Medicinal Chemistry

Working Paper

Contilisant+Tubastatin A hybrids, as new multi-target-directed polyfunctionalized indole derivatives able to inhibit histone deacetylase/cholinesterase/monoamine oxidase enzymes, and modulate histamine 3/sigma 1/5-HT6/dopamine 3 receptors for the treatment of cancer

José Luis Marco-Contelles, Mireia Toledano-Pinedo, Fernando Romero, Abdelouahid Samadi, Alicia Porro, Pedro Almendros, Isabel I Iriepa, M. Mercedes Rodríguez-Fernández, Francisco López-Muñoz, Aizpea Artetxe-Zurutuza, Ander Matheu

Version 1 posted 01 September 2023

165

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Catalysis

Working Paper

Enhancing a De Novo Enzyme Activity by Computationally-Focused, Ultra-Low-Throughput Sequence Screening

Valeria A. Risso, Adrian Romero-Rivera, Luis I. Gutierrez-Rus, Mariano Ortega-Muñoz, Francisco Santoyo-Gonzalez, José A. Gavira, Jose Manuel Sanchez Ruiz, Shina Caroline Lynn Kamerlin

Version 2 posted 06 April 2020

1,108

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Biological and Medicinal Chemistry

Review

ViSAS for Entering Chemical Space: Virtual Screening of Analog Series and Related Advances

José J. Naveja-Romero, Fernanda I. Saldívar-González, Diana L. Prado-Romero, Angel J. Ruiz-Moreno, Marco Velasco-Velázquez, Ramón Alain Miranda-Quintana, José L. Medina-Franco

Version 1 posted 26 September 2022

512

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Theoretical and Computational Chemistry

Working Paper

A Simple Electron-Density Based Force Field Model for High-Energy Interactions between Atoms and Molecules

José Romero, Paulo Limão-Vieira, Kersti Hermansson, Michael Probst

Version 3 posted 03 October 2023

300

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Catalysis

Working Paper

The effects of mixed metal oxide catalysts on the synthesis of cyclic carbonates from epoxides under atmospheric CO2 pressure.

Blanca Ivonne Vergara-Arenas, Rachel L. Nicholls, Guillermo E. Negrón-Silva, Leticia Lomas-Romero, Jose Antonio Morales-Serna, Bao N. Nguyen

Version 1 posted 19 March 2024

186

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Biological and Medicinal Chemistry

Working Paper

De novo design of inhibitors of DNA methyltransferase 1: A critical comparison of ligand- and structure-based approaches

Diana L. Prado-Romero, Fernanda I. Saldívar-González, Iván López-Mata, Pedro A. Laurel-García, Norberto Sánchez-Cruz, José L. Medina-Franco

Version 1 posted 25 April 2024

170

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Nanoscience

Working Paper

Efficient Electron Hopping Transport through Azurin-Based Junctions

Carlos Roldán-Piñero, Carlos Romero-Muñiz, Ismael Díez-Pérez, José Guilherme Vilhena, Rubén Pérez, Juan Carlos Cuevas, Linda Angela Zotti

Version 1 posted 25 September 2023

212

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9 results in José Romero in Authors: José Romero

A Spanish Chemoinformatics GitBook for Chemical Data retrieval and Analysis using Python Programming

A Polarizable Valence Electron Density Based Force Field for High-Energy Interactions between Atoms and Molecules

Contilisant+Tubastatin A hybrids, as new multi-target-directed polyfunctionalized indole derivatives able to inhibit histone deacetylase/cholinesterase/monoamine oxidase enzymes, and modulate histamine 3/sigma 1/5-HT6/dopamine 3 receptors for the treatment of cancer

Enhancing a De Novo Enzyme Activity by Computationally-Focused, Ultra-Low-Throughput Sequence Screening

ViSAS for Entering Chemical Space: Virtual Screening of Analog Series and Related Advances

A Simple Electron-Density Based Force Field Model for High-Energy Interactions between Atoms and Molecules

The effects of mixed metal oxide catalysts on the synthesis of cyclic carbonates from epoxides under atmospheric CO2 pressure.

De novo design of inhibitors of DNA methyltransferase 1: A critical comparison of ligand- and structure-based approaches

Efficient Electron Hopping Transport through Azurin-Based Junctions

9 results in Authors: José Romero