rDock: a fast, versatile and open source program for docking ligands to proteins and nucleic acids S Ruiz-Carmona, D Alvarez-Garcia, N Foloppe, AB Garmendia-Doval, ... PLoS computational biology 10 (4), e1003571, 2014 | 515 | 2014 |
Dynamic undocking and the quasi-bound state as tools for drug discovery S Ruiz-Carmona, P Schmidtke, FJ Luque, L Baker, N Matassova, B Davis, ... Nature chemistry 9 (3), 201-206, 2017 | 88 | 2017 |
The carbon footprint of bioinformatics J Grealey, L Lannelongue, WY Saw, J Marten, G Méric, S Ruiz-Carmona, ... Molecular biology and evolution 39 (3), msac034, 2022 | 57 | 2022 |
An investigation of structural stability in protein-ligand complexes reveals the balance between order and disorder M Majewski, S Ruiz-Carmona, X Barril Communications Chemistry 2 (1), 110, 2019 | 55 | 2019 |
Binding mode prediction and MD/MMPBSA-based free energy ranking for agonists of REV-ERBα/NCoR Y Westermaier, S Ruiz-Carmona, I Theret, F Perron-Sierra, G Poissonnet, ... Journal of computer-aided molecular design 31, 755-775, 2017 | 34 | 2017 |
Oxygen pathway limitations in patients with chronic thromboembolic pulmonary hypertension EJ Howden, S Ruiz-Carmona, M Claeys, R De Bosscher, R Willems, ... Circulation 143 (21), 2061-2073, 2021 | 22 | 2021 |
Loss of the long non-coding RNA OIP5-AS1 exacerbates heart failure in a sex-specific manner A Zhuang, AC Calkin, S Lau, H Kiriazis, DG Donner, Y Liu, ST Bond, ... Iscience 24 (6), 2021 | 9 | 2021 |
Dynamic undocking: a novel method for structure-based drug discovery M Majewski, S Ruiz-Carmona, X Barril Rational Drug Design: Methods and Protocols, 195-215, 2018 | 6 | 2018 |
Docking-undocking combination applied to the D3R Grand Challenge 2015 S Ruiz-Carmona, X Barril Journal of computer-aided molecular design 30, 805-815, 2016 | 6 | 2016 |
LigQ: A Webserver to Select and Prepare Ligands for Virtual Screening L Radusky, S Ruiz-Carmona, C Modenutti, X Barril, AG Turjanski, ... Journal of chemical information and modeling 57 (8), 1741-1746, 2017 | 5 | 2017 |
Computational Design of Inhibitors Targeting the Catalytic β Subunit of Escherichia coli FOF1-ATP Synthase LP Avila-Barrientos, LF Cofas-Vargas, G Agüero-Chapin, ... Antibiotics 11 (5), 557, 2022 | 3 | 2022 |
Development of an Automatic Pipeline for Participation in the CELPP Challenge M Miñarro-Lleonar, S Ruiz-Carmona, D Alvarez-Garcia, P Schmidtke, ... International Journal of Molecular Sciences 23 (9), 4756, 2022 | 1 | 2022 |
Association Between Physical Activity and Risk of Incident Cardiovascular Disease in Women With Novel Risk Factors: Evidence From the UK Biobank Cohort Z Ataei, S Ruiz-Carmona, L Wright, E Howden Circulation 148 (Suppl_1), A18857-A18857, 2023 | | 2023 |
COVID-19 thromboembolism is reduced in ambulatory, but not hospitalized patients, following COVID-19 vaccination H Stevens, S Ruiz-Carmona, K Peter, JD McFadyen Haematologica 108 (9), 2503, 2023 | | 2023 |
Semiautomatic Training Load Determination in Endurance Athletes C Dausin, S Ruiz-Carmona, R De Bosscher, K Janssens, L Herbots, ... Journal for the Measurement of Physical Behaviour 6 (3), 193-201, 2023 | | 2023 |
Erratum. Semiautomatic Training Load Determination in Endurance Athletes C Dausin, S Ruiz-Carmona, R De Bosscher Journal for the Measurement of Physical Behaviour 6, 315, 2023 | | 2023 |
Computational Design of Inhibitors Targeting the Catalytic β Subunit of Escherichia coli FOF1-ATP Synthase. Antibiotics 2022, 11, 557 LP Avila-Barrientos, LF Cofas-Vargas, G Agüero-Chapin, ... s Note: MDPI stays neutral with regard to jurisdictional claims in published …, 2022 | | 2022 |
Response by Howden et al to Letter Regarding Article,“Oxygen Pathway Limitations in Patients With Chronic Thromboembolic Pulmonary Hypertension” EJ Howden, S Ruiz-Carmona, A La Gerche, M Delcroix, G Claessen Circulation 144 (21), e330-e331, 2021 | | 2021 |