José Manuel García de la Vega

8PUBLICATIONS
15CO-AUTHORS
Bioinformatic methods developmentRadiation and matterTheoretical quantum chemistryComputational physiology
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Publications (8)

|Aug 21, 2026
Integrated Virtual Screening and Molecular Electrostatic Surface Potential Descriptors for Predicting BACE1 Inhibitor Interactions in Alzheimer's Disease.

|Nov 24, 2025
Reduced Serially Improved GTOs for Molecular Applications from H to Ar: Efficient Diffuse Functions in Augmented Basis Sets.

Ignacio Ema, Jesús San-Fabián, Guillermo Ramírez

|Jun 03, 2024
Alternative CNDOL Fockians for fast and accurate description of molecular exciton properties.

Luis A Montero-Cabrera, Ana L Montero-Alejo, Alan Aspuru-Guzik

|Sep 25, 2023
The Challenge of ab Initio Calculations in Small Neon Clusters.

Ignacio Ema, Guillermo Ramírez, Rafael López

|Jun 26, 2023
Serially improved GTOs for molecular applications (SIGMA): Basis sets from H to Ne.

Ignacio Ema López, Guillermo Ramírez Moreno, Rafael López Fernández

|Nov 11, 2021
Toward a Computational NMR Procedure for Modeling Dipeptide Side-Chain Conformation.

Jesús San Fabián, Ignacio Ema, Salama Omar

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Frequent Collaborators

4 joint publications

Rafael López Fernández

2 joint publications

Luis A Montero-Cabrera

2 joint publications

Ignacio Ema López

2 joint publications

Guillermo Ramírez Moreno