BIOVIA

Recent papers from BIOVIA

1. Synthesis, Structure, and Properties of BaCO3-(hR5)-Type PbCO3Crystal Growth & Design · 2024
2. Fast and Accurate Prediction of Refractive Index of Organic Liquids with Graph MachinesMolecules · 2023
3. Sr3[CO4]O Antiperovskite with Tetrahedrally Coordinated sp3-Hybridized Carbon and OSr6 OctahedraInorganic Chemistry · 2021
4. A nanobody activating metabotropic glutamate receptor 4 discriminates between homo- and heterodimersProceedings of the National Academy of Sciences · 2021
5. Tetrahedrally Coordinated sp3-Hybridized Carbon in Sr2CO4 Orthocarbonate at Ambient ConditionsInorganic Chemistry · 2021
6. Synthesis, crystal structure and structure–property relations of strontium orthocarbonate, Sr2CO4Acta Crystallographica Section B Structural Science Crystal Engineering and Materials · 2021
7. Automated, Accurate, and Scalable Relative Protein–Ligand Binding Free-Energy Calculations Using Lambda DynamicsJournal of Chemical Theory and Computation · 2020
8. The simplest supramolecular helixChemical Communications · 2018
9. Matching disease and phenotype ontologies in the ontology alignment evaluation initiativeJournal of Biomedical Semantics · 2017
10. A statistical sub-sampling tool for extracting vegetation community and diversity information from pollen assemblage dataPalaeogeography Palaeoclimatology Palaeoecology · 2014
11. Emergence of Crystal-like Atomic Dynamics in Glasses at the Nanometer ScalePhysical Review Letters · 2013
12. Successful Prediction of Substrate-binding Pocket in SLC17 Transporter SialinJournal of Biological Chemistry · 2012
13. New Features that Improve the Pharmacophore Tools from AccelrysCurrent Computer - Aided Drug Design · 2011
14. Three-Dimensional Pharmacophore Modeling of Liver-X Receptor AgonistsJournal of Chemical Information and Modeling · 2011
15. Novel Rhenium NitridesPhysical Review Letters · 2010
16. Computational designing of gradient type catalytic membrane: application to the conversion of methanol to ethyleneMolecular Simulation · 2008
17. On the use of fractional charges for computing Fukui functionsMolecular Simulation · 2008
18. Application of the Reactivity Index to Propose Intra and Intermolecular Reactivity in Metal Cluster Interaction over Oxide SurfaceMATERIALS TRANSACTIONS · 2007
19. A Novel α-Helix in the First Fibronectin Type III Repeat of the Neural Cell Adhesion Molecule Is Critical for N-Glycan PolysialylationJournal of Biological Chemistry · 2006
20. Using Pharmacophore Models To Gain Insight into Structural Binding and Virtual Screening: An Application Study with CDK2 and Human DHFRJournal of Chemical Information and Modeling · 2006