Application Filter: Protein and Ligand Visualization

Protein and Ligand Electrostatics
Visual feedback to understand ligand binding, structure-activity relationships and rank new molecule designs
Unveiling the potential: exploring the efficacy of complex III inhibitors in fungal disease control
Pest Management Science | 2025 Jackson, V., Sherer, C., Jordan, L. and Clohessy, T.; Unveiling the potential: exploring the efficacy of complex...
Design, Synthesis, and Cytotoxic Assessment of New Haloperidol Analogues as Potential Anticancer Compounds Targeting Sigma Receptors
MOLECULES | 2024 Zampieri D, Romano M, Fortuna S, Amata E, et al.; Design, Synthesis, and Cytotoxic Assessment of New Haloperidol Analogues as...
Network Analysis Guided Designing of Multi-Targeted Anti-Fungal Agents: Synthesis and Biological Evaluation
Journal of Molecular Structure | 2022 Manmeet Singh, Himanshu Verma, Priyanka Bhandu, Manoj Kumar, et al.; Network Analysis Guided Designing...
In silico anti-SARS-CoV-2 activities of five-membered heterocycle-substituted benzimidazoles
Journal of Molecular Structure | 2022 Prafullya Kumar Mudi, Rajani Kanta Mahato, Himanshu Verma, Subhra Jyoti Panda, et al.,In silico anti-SARS-CoV-2...
Allosteric Binding of MDMA to the Human Serotonin Transporter (hSERT) via Ensemble Binding Space Analysis with ΔG Calculations, Induced Fit Docking and Monte Carlo Simulations
Molecules | 2022 Islas, Ángel A., and Thomas Scior; Allosteric Binding of MDMA to the Human Serotonin Transporter (hSERT) via Ensemble Binding...
Electrostatic Complementarity in Structure-Based Drug Design
J. MED. CHEM. | 2022 Benjamin D. Cons, David G. Twigg, Rajendra Kumar, Gianni Chessari; Electrostatic Complementarity in Structure-Based Drug...