Not finding it? Sign in to also search OpenAlex live.
-
Do Brain Extracellular Fluid Concentrations Predict PET ‐Inferred Receptor Occupancy in Human CNS ? A Mechanistic Model‐Based Analysis of Dopamine D2 Receptor Ligands2026 Clinical Pharmacology & Therapeutics article Neuroscience Neurotransmitter Receptor Influence on Behavior Open access
Divakar Budda, J. G. Coen van Hasselt, Elizabeth C. M. de Lange
0citations -
Hybrid MM/CG Webserver: Automatic Set Up of Molecular Mechanics/Coarse-Grained Simulations for Human G Protein-Coupled Receptor/Ligand Complexes2020 Frontiers in Molecular Biosciences article Biochemistry, Genetics and Molecular Biology Receptor Mechanisms and Signaling Open access
Jakob Schneider, Rui Pedro Ribeiro, Mercedes Alfonso‐Prieto, Paolo Carloni, Alejandro Giorgetti
9citations -
Fi-score: a novel approach to characterise protein topology and aid in drug discovery studies2020 Journal of Biomolecular Structure and Dynamics article Biochemistry, Genetics and Molecular Biology Protein Structure and Dynamics
Austė Kanapeckaitė, Claudia Beaurivage, MATTHEW J. HANCOCK, Erik Verschueren
3citations -
Identifying Novel Inhibitors for Hepatic Organic Anion Transporting Polypeptides by Machine Learning-Based Virtual Screening2022 Journal of Chemical Information and Modeling article Computer Science Computational Drug Discovery Methods Open access
Alzbeta Tuerkova, Brandon J. Bongers, Ulf Norinder, Orsolya Ungvári, Virág Székely, Andrey Tarnovskiy, +4 more
24citations -
Targeting chitinase-3-like protein-1 in pancolitis by a drug-repurposing approach2026 Biochemical Pharmacology article Biochemistry, Genetics and Molecular Biology Inflammatory Bowel Disease Open access
Faranak Bahramimehr, Stefanie Kurz, Axel Guthart, Susanne M. Krug, Anja Fromm, Mohamed Elbadawi, +10 more
0citations -
Ligand Pose Predictions for Human G Protein-Coupled Receptors: Insights from the Amber-Based Hybrid Molecular Mechanics/Coarse-Grained Approach2020 Journal of Chemical Information and Modeling article Computer Science Computational Drug Discovery Methods
Ksenia Korshunova, Zeineb Si Chaib, Alejandro Giorgetti, Mercedes Alfonso‐Prieto, Paolo Carloni
16citations -
RGT: a toolbox for the integrative analysis of high throughput regulatory genomics data2023 BMC Bioinformatics article Biochemistry, Genetics and Molecular Biology Genomics and Chromatin Dynamics Open access
Zhijian Li, Chao‐Chung Kuo, Fabio Ticconi, Mina Shaigan, Julia Gehrmann, Eduardo Gade Gusmao, +4 more
24citations -
plantiSMASH 2.0: Improvements to Detection, Annotation, and Prioritization of Plant Biosynthetic Gene Clusters2026 Journal of Molecular Biology article Medicine Microbial Natural Products and Biosynthesis Open access
Elena Del Pup, Charlotte Owen, Hannah E. Augustijn, Arjan Draisma, Guy Polturak, Satria Ardhe Kautsar, +3 more
13citations -
gutSMASH 2.0: Extended Identification of Primary Metabolic Gene Clusters From the Human Gut Microbiota2025 Journal of Molecular Biology article Medicine Microbial Natural Products and Biosynthesis Open access
Yijun Zhu, Hannah E. Augustijn, Victòria Andreu, Arjan Draisma, Gilles P. van Wezel, Dylan Dodd, +2 more
4citations -
Physics-based generative model of curvature sensing peptides; distinguishing sensors from binders2023 Science Advances article Biochemistry, Genetics and Molecular Biology Lipid Membrane Structure and Behavior Open access
Niek van Hilten, Jeroen Methorst, Nino Verwei, Herre Jelger Risselada
49citations -
Combining Bayesian and Evidential Uncertainty Quantification for Improved Bioactivity Modeling2025 Journal of Chemical Information and Modeling article Computer Science Computational Drug Discovery Methods Open access
Kajetan Schweighofer, Natalia Dyubankova, Gerard J. P. van Westen, Herman van Vlijmen
9citations -
Predictions of the Poses and Affinity of a Ligand over the Entire Surface of a NEET Protein: The Case of Human MitoNEET2023 Journal of Chemical Information and Modeling article Computer Science Computational Drug Discovery Methods Open access
Ke Zuo, Riccardo Capelli, Giulia Rossetti, Rachel Nechushtai, Paolo Carloni
8citations -
Annotation of Allosteric Compounds to Enhance Bioactivity Modeling for Class A GPCRs2020 Journal of Chemical Information and Modeling article Computer Science Computational Drug Discovery Methods Open access
Lindsey Burggraaff, Amber van Veen, Chi Chung Lam, Herman van Vlijmen, Adriaan P. IJzerman, Gerard J. P. van Westen
10citations -
Increase of urinary TIMP-2 and IGFBP7 as potential predictor of acute kidney injury requiring renal replacement therapy and patients’ outcome following complex endovascular and open thoracic abdominal aortic aneurysm surgery – a prospective observational study
Alexander Gombert, Drosos Kotelis, Marcia Viviane Rückbeil, Mohammad Esmaeil Barbati, Lukas Märtin, Gernot Marx, +3 more
6citations