| gmx_MMPBSA: a new tool to perform end-state free energy calculations with GROMACS MS Valdés-Tresanco, ME Valdés-Tresanco, PA Valiente, E Moreno Journal of chemical theory and computation 17 (10), 6281-6291, 2021 | 763 | 2021 |
| AMDock: a versatile graphical tool for assisting molecular docking with Autodock Vina and Autodock4 MS Valdés-Tresanco, ME Valdés-Tresanco, PA Valiente, E Moreno Biology direct 15, 1-12, 2020 | 158 | 2020 |
| Structural insights into the design of synthetic nanobody libraries MS Valdés-Tresanco, A Molina-Zapata, AG Pose, E Moreno Molecules 27 (7), 2198, 2022 | 26 | 2022 |
| A program to automate the discovery of drugs for West Nile and Dengue virus—programmatic screening of over a billion compounds on PubChem, generation of drug leads and … B Geoffrey, A Sanker, R Madaj, MSV Tresanco, M Upadhyay, J Gracia Journal of Biomolecular Structure and Dynamics 40 (10), 4293-4300, 2020 | 16 | 2020 |
| Structure-based design and construction of a synthetic phage display nanobody library E Moreno, MS Valdés-Tresanco, A Molina-Zapata, O Sánchez-Ramos BMC Research Notes 15 (1), 124, 2022 | 14 | 2022 |
| gmx_MMPBSA MSV Tresanco, ME Valdes-Tresanco, PA Valiente, EM Frías Zenodo, 2021 | 12 | 2021 |
| A new tool to perform end-state free energy calculations with GROMACS., 2021, 17 MS Valdés-Tresanco, ME Valdés-Tresanco, PA Valiente, ... DOI: https://doi. org/10.1021/acs. jctc. 1c00645, 6281-6291, 0 | 10 | |
| NbThermo: a new thermostability database for nanobodies MS Valdés-Tresanco, ME Valdés-Tresanco, E Molina-Abad, E Moreno Database 2023, baad021, 2023 | 8 | 2023 |
| Assessment of different parameters on the accuracy of computational alanine scanning of protein–protein complexes with the molecular mechanics/generalized born surface area method ME Valdés-Tresanco, MS Valdés-Tresanco, E Moreno, PA Valiente The Journal of Physical Chemistry B 127 (4), 944-954, 2023 | 6 | 2023 |
| Structural modeling of nanobodies: a benchmark of state-of-the-art artificial intelligence programs MS Valdés-Tresanco, ME Valdés-Tresanco, DE Jiménez-Gutiérrez, ... Molecules 28 (10), 3991, 2023 | 5 | 2023 |
| Tailored Parameterization of the LIE Method for Calculating the Binding Free Energy of Vps34–Inhibitor Complexes MS Valdés-Tresanco, ME Valdés-Tresanco, M Rubio-Carrasquilla, ... ACS omega 6 (44), 29525-29536, 2021 | 4 | 2021 |
| gmx_MMPBSA (Version v1. 4.2) MS Valdés-Tresanco, ME Valdés-Tresanco, PA Valiente, EM Frías Zenodo, 2021 | 2 | 2021 |
| Identifying Potential Molecular Targets in Fungi Based on (Dis) Similarities in Binding Site Architecture with Proteins of the Human Pharmacolome JE Bedoya-Cardona, M Rubio-Carrasquilla, IM Ramírez-Velásquez, ... Molecules 28 (2), 692, 2023 | | 2023 |
| Protein surface roughness accounts for binding free energy of Plasmepsin II‐ligand complexes ME Valdés‐Tresanco, MS Valdés‐Tresanco, PA Valiente, G Cocho, ... Journal of Molecular Recognition 31 (1), e2661, 2018 | | 2018 |
| Assessment of Different Parameters on the Accuracy of Computational Alanine Scanning of Protein-Protein Complexes with the MM/GBSA Method ME Valdés-Tresanco, MS Valdés-Tresanco, E Moreno, PA Valiente | | |
| Supporting Information gmx_MMPBSA: a new tool aid to perform end-state free energy calculations with GROMACS files MS Valdés-Tresanco, ME Valdés-Tresanco, PA Valiente, E Moreno | | |
Ernesto Moreno FriasUniversidad de Medellín, ColombiaVerified email at udemedellin.edu.co
