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Improving scoring-docking-screening powers of protein-ligand scoring functions using random forest
Online Contents | 2016|Keywords: Datenverarbeitung -
CarbBuilder: Software for building molecular models of complex oligo- and polysaccharide structures
Online Contents | 2016|Keywords: Datenverarbeitung -
AGGREGATES: Finding structures in simulation results of solutions
Online Contents | 2017|Keywords: Datenverarbeitung -
A multipolar approach to the interatomic covalent interaction energy
Online Contents | 2017|Keywords: Datenverarbeitung -
Advances in computational biology
TIBKAT | 1.1994 - 2.1996; damit Ersch. eingest.Keywords: Datenverarbeitung -
Towards Accessibility Guidelines for the Metaverse : A Synthesis of Recommendations for People Living With Dementia
Free accessDataCite | 2023|Keywords: 004 Datenverarbeitung; Informatik -
Towards Understanding the Global IPX Network from an MVNO Perspective
Free accessDataCite | 2023|Keywords: 004 Datenverarbeitung; Informatik -
Multiple DCLC Routing Algorithms for Ultra-Reliable and Time-Sensitive Applications
Free accessDataCite | 2023|Keywords: 004 Datenverarbeitung; Informatik -
Deformed transition-state theory: Deviation from Arrhenius behavior and application to bimolecular hydrogen transfer reaction rates in the tunneling regime
Online Contents | 2016|Keywords: Datenverarbeitung -
Prediction of excited-state properties of oligoacene crystals using polarizable continuum model-tuned range-separated hybrid functional approach
Online Contents | 2017|Keywords: Datenverarbeitung -
Systematic study of the effect of HSE functional internal parameters on the electronic structure and band gap of a representative set of metal oxides
Online Contents | 2017|Keywords: Datenverarbeitung -
Proton solvation in protic and aprotic solvents
Online Contents | 2016|Keywords: Datenverarbeitung -
Challenges of Serverless Deployment in Edge-MEC-Cloud
Free accessDataCite | 2023|Keywords: 004 Datenverarbeitung; Informatik -
Adaptive partitioning by local density-peaks: An efficient density-based clustering algorithm for analyzing molecular dynamics trajectories
Online Contents | 2016|Keywords: Datenverarbeitung -
Converging ligand-binding free energies obtained with free-energy perturbations at the quantum mechanical level
Online Contents | 2016|Keywords: Datenverarbeitung -
The nature of structure and bonding between transition metal and mixed Si-Ge tetramers: A 20-electron superatom system
Online Contents | 2016|Keywords: Datenverarbeitung -
Density functional theory study of mechanism of epoxy-carboxylic acid curing reaction
Online Contents | 2017|Keywords: Datenverarbeitung -
Estimation of relative free energies of binding using pre-computed ensembles based on the single-step free energy perturbation and the site-identification by Ligand competitive saturation approaches
Online Contents | 2016|Keywords: Datenverarbeitung -
Revealing the physical nature and the strength of charge-inverted hydrogen bonds by SAPT(DFT), MP2, SCS-MP2, MP2C, and CCSD(T) methods
Online Contents | 2017|Keywords: Datenverarbeitung
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