1. A combined semiempirical and DFT computational protocol for studying bioorganometallic complexes: Application to molybdocene–cysteine complexes. Issue 4 (2nd December 2013) Authors: Suárez, Dimas; Díaz, Natalia; López, Ramón Journal: Journal of computational chemistry Issue: Volume 35:Issue 4(2014) Page Start: 324 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2. Alkali and Alkaline‐Earth Cations in Complexes with Small Bioorganic Ligands: Ab Initio Benchmark Calculations and Bond Energy Decomposition. Issue 1 (11th December 2019) Authors: López, Roberto; Díaz, Natalia; Suárez, Dimas Journal: Chemphyschem Issue: Volume 21:Issue 1(2020) Page Start: 99 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
3. An Integrated Computational and Experimental Approach to Gaining Selectivity for MMP‐2 within the Gelatinase Subfamily. Issue 3 (21st January 2014) Authors: Fabre, Benjamin; Filipiak, Kamila; Díaz, Natalia; Zapico, José María; Suárez, Dimas; Ramos, Ana; de Pascual‐Teresa, Beatriz Journal: Chembiochem Issue: Volume 15:Issue 3(2014) Page Start: 399 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
4. Application of the Interacting Quantum Atoms Approach to the S66 and Ionic‐Hydrogen‐Bond Datasets for Noncovalent Interactions. Issue 8 (19th February 2018) Authors: Suárez, Dimas; Díaz, Natalia; Francisco, Evelio; Martín Pendás, Angel Journal: Chemphyschem Issue: Volume 19:Issue 8(2018) Page Start: 973 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
5. Aptamers targeting protein-specific glycosylation in tumor biomarkers: general selection, characterization and structural modeling. Issue 35 (24th July 2020) Authors: Díaz-Fernández, Ana; Miranda-Castro, Rebeca; Díaz, Natalia; Suárez, Dimas; de-los-Santos-Álvarez, Noemí; Lobo-Castañón, M. Jesús Journal: Chemical science Issue: Volume 11:Issue 35(2020) Page Start: 9402 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
6. Atoms in molecules in real space: a fertile field for chemical bonding. Issue 15 (30th March 2023) Authors: Martín Pendás, Ángel; Francisco, Evelio; Suárez, Dimas; Costales, Aurora; Díaz, Natalia; Munárriz, Julen; Rocha-Rinza, Tomás; Guevara-Vela, José Manuel Journal: Physical chemistry chemical physics Issue: Volume 25:Issue 15(2023) Page Start: 10231 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
7. CENCALC: A computational tool for conformational entropy calculations from molecular simulations. Issue 23 (8th June 2013) Authors: Suárez, Ernesto; Díaz, Natalia; Méndez, Jefferson; Suárez, Dimas Journal: Journal of computational chemistry Issue: Volume 34:Issue 23(2013) Page Start: 2041 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
8. Conformational and entropy analyses of extended molecular dynamics simulations of α-, β- and γ-cyclodextrins and of the β-cyclodextrin/nabumetone complex. Issue 2 (16th December 2016) Authors: Suárez, Dimas; Díaz, Natalia Journal: Physical chemistry chemical physics Issue: Volume 19:Issue 2(2017) Page Start: 1431 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
9. Direct methods for computing single‐molecule entropies from molecular simulations. (25th July 2014) Authors: Suárez, Dimas; Díaz, Natalia Journal: Wiley interdisciplinary reviews Issue: Volume 5:Number 1(2015:Jan./Feb.) Page Start: 1 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
10. Direct methods for computing single‐molecule entropies from molecular simulations. (25th July 2014) Authors: Suárez, Dimas; Díaz, Natalia Journal: Wiley interdisciplinary reviews Issue: Volume 5:Number 1(2015:Jan./Feb.) Page Start: 1 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗