Chemistry, information and Frank: a tribute to Frank Brown.
- Published in:
- 2018
- By:
- Publication type:
- Obituary
Works matching IS 0920654X AND DT 2018 AND VI 32 AND IP 7
Results: 6
1
2
Influence of gauche effect on uncharged oxime reactivators for the reactivation of tabun-inhibited AChE: quantum chemical and steered molecular dynamics studies.
- Published in:
- Journal of Computer-Aided Molecular Design, 2018, v. 32, n. 7, p. 793, doi. 10.1007/s10822-018-0130-1
- By:
- Publication type:
- Article
3
Theoretical models to predict the inhibitory effect of ligands of sphingosine kinase 1 using QTAIM calculations and hydrogen bond dynamic propensity analysis.
- Published in:
- Journal of Computer-Aided Molecular Design, 2018, v. 32, n. 7, p. 781, doi. 10.1007/s10822-018-0129-7
- By:
- Publication type:
- Article
4
Exploring ensembles of bioactive or virtual analogs of X-ray ligands for shape similarity searching.
- Published in:
- Journal of Computer-Aided Molecular Design, 2018, v. 32, n. 7, p. 759, doi. 10.1007/s10822-018-0128-8
- By:
- Publication type:
- Article
5
Quantitative surface field analysis: learning causal models to predict ligand binding affinity and pose.
- Published in:
- Journal of Computer-Aided Molecular Design, 2018, v. 32, n. 7, p. 731, doi. 10.1007/s10822-018-0126-x
- By:
- Publication type:
- Article
6
Inhibition of protein interactions: co-crystalized protein-protein interfaces are nearly as good as holo proteins in rigid-body ligand docking.
- Published in:
- Journal of Computer-Aided Molecular Design, 2018, v. 32, n. 7, p. 769, doi. 10.1007/s10822-018-0124-z
- By:
- Publication type:
- Article