| Conduction And Gating Properties Of The Traak Channel From Molecular Dynamics Simulations With Different Force Fields | 0 | 0.34 | 2020 |
| Exploring Conformational Dynamics of the Extracellular Venus Flytrap Domain of the GABAB Receptor: a Path-Metadynamics Study. | 0 | 0.34 | 2020 |
| Predicting Residence Time And Drug Unbinding Pathway Through Scaled Molecular Dynamics. | 0 | 0.34 | 2019 |
| Binding residence time through scaled molecular dynamics: a prospective application to hDAAO inhibitors. | 0 | 0.34 | 2018 |
| Fully Flexible Docking Via Reaction-Coordinate-Independent Molecular Dynamics Simulations. | 0 | 0.34 | 2018 |
| Development Of A Multisite Model For Ni(Ii) Ion In Solution From Thermodynamic And Kinetic Data | 0 | 0.34 | 2017 |
| An Automated Docking Protocol for hERG Channel Blockers. | 0 | 0.34 | 2013 |
| Collecting and Assessing Human Lactate Dehydrogenase-A Conformations for Structure-Based Virtual Screening. | 0 | 0.34 | 2013 |
| Computational investigation of the binding mode of bis(hydroxylphenyl)arenes in 17β-HSD1: molecular dynamics simulations, MM-PBSA free energy calculations, and molecular electrostatic potential maps. | 1 | 0.37 | 2011 |
| Mechanical Features of Acyl Carrier Protein in the Delivery of Substrates. | 0 | 0.34 | 2008 |
| Alpha7 nicotinic acetylcholine receptor agonists: prediction of their binding affinity through a molecular mechanics Poisson-Boltzmann surface area approach. | 6 | 0.92 | 2008 |
| Modeling the hERG potassium channel in a phospholipid bilayer: Molecular dynamics and drug docking studies. | 1 | 0.36 | 2008 |
| AClAP, Autonomous hierarchical agglomerative Cluster Analysis based protocol to partition conformational datasets. | 2 | 0.56 | 2006 |
| A comparative study on the application of hierarchical-agglomerative clustering approaches to organize outputs of reiterated docking runs. | 5 | 0.85 | 2006 |
| Comparative molecular field analysis of non-steroidal aromatase inhibitors related to fadrozole. | 3 | 0.46 | 1996 |
