Works matching IS 01928651 AND DT 2024 AND VI 45 AND IP 23
Results: 7
Ruthenium complexes bearing nile red chromophore and one of its derivative: Theoretical evaluation of PDT‐related properties.
- Published in:
- Journal of Computational Chemistry, 2024, v. 45, n. 23, p. 2034, doi. 10.1002/jcc.27392
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- Article
MzDOCK: A free ready‐to‐use GUI‐based pipeline for molecular docking simulations.
- Published in:
- Journal of Computational Chemistry, 2024, v. 45, n. 23, p. 1980, doi. 10.1002/jcc.27390
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- Article
GraphEGFR: Multi‐task and transfer learning based on molecular graph attention mechanism and fingerprints improving inhibitor bioactivity prediction for EGFR family proteins on data scarcity.
- Published in:
- Journal of Computational Chemistry, 2024, v. 45, n. 23, p. 2001, doi. 10.1002/jcc.27388
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- Article
Range‐separated density functional theory using multiresolution analysis and quantum computing.
- Published in:
- Journal of Computational Chemistry, 2024, v. 45, n. 23, p. 1987, doi. 10.1002/jcc.27384
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- Article
Interpretation of molecular electron transport in ab initio many‐electron framework incorporating zero‐point nuclear motion effects.
- Published in:
- Journal of Computational Chemistry, 2024, v. 45, n. 23, p. 1968, doi. 10.1002/jcc.27381
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- Article
Impact of protein conformations on binding free energy calculations in the beta‐secretase 1 system.
- Published in:
- Journal of Computational Chemistry, 2024, v. 45, n. 23, p. 2024, doi. 10.1002/jcc.27365
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- Article
Issue Information.
- Published in:
- Journal of Computational Chemistry, 2024, v. 45, n. 23, p. 1963, doi. 10.1002/jcc.27156
- Publication type:
- Article