Leaving us with fond memories, smiles, SMILES and, alas, tears: a tribute to David Weininger, 1952-2016.
- Published in:
- 2018
- By:
- Publication type:
- Obituary
Works matching IS 0920654X AND DT 2018 AND VI 32 AND IP 2
Results: 7
1
2
Design of a tripartite network for the prediction of drug targets.
- Published in:
- Journal of Computer-Aided Molecular Design, 2018, v. 32, n. 2, p. 321, doi. 10.1007/s10822-018-0098-x
- By:
- Publication type:
- Article
3
Validation of tautomeric and protomeric binding modes by free energy calculations. A case study for the structure based optimization of D-amino acid oxidase inhibitors.
- Published in:
- Journal of Computer-Aided Molecular Design, 2018, v. 32, n. 2, p. 331, doi. 10.1007/s10822-018-0097-y
- By:
- Publication type:
- Article
4
"In silico" study of the binding of two novel antagonists to the nociceptin receptor.
- Published in:
- Journal of Computer-Aided Molecular Design, 2018, v. 32, n. 2, p. 385, doi. 10.1007/s10822-017-0095-5
- By:
- Publication type:
- Article
5
A combined Fisher and Laplacian score for feature selection in QSAR based drug design using compounds with known and unknown activities.
- Published in:
- Journal of Computer-Aided Molecular Design, 2018, v. 32, n. 2, p. 375, doi. 10.1007/s10822-017-0094-6
- By:
- Publication type:
- Article
6
Congestion game scheduling for virtual drug screening optimization.
- Published in:
- Journal of Computer-Aided Molecular Design, 2018, v. 32, n. 2, p. 363, doi. 10.1007/s10822-017-0093-7
- By:
- Publication type:
- Article
7
Discovering new PI3Kα inhibitors with a strategy of combining ligand-based and structure-based virtual screening.
- Published in:
- Journal of Computer-Aided Molecular Design, 2018, v. 32, n. 2, p. 347, doi. 10.1007/s10822-017-0092-8
- By:
- Publication type:
- Article