The influence of hydrogen bonding on partition coefficients.
- Published in:
- Journal of Computer-Aided Molecular Design, 2017, v. 31, n. 2, p. 163, doi. 10.1007/s10822-016-0002-5
- By:
- Publication type:
- Article
Works matching IS 0920654X AND DT 2017 AND VI 31 AND IP 2
Results: 6
1
2
Exploring the stability of ligand binding modes to proteins by molecular dynamics simulations.
- Published in:
- Journal of Computer-Aided Molecular Design, 2017, v. 31, n. 2, p. 201, doi. 10.1007/s10822-016-0005-2
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- Publication type:
- Article
3
DockingApp: a user friendly interface for facilitated docking simulations with AutoDock Vina.
- Published in:
- Journal of Computer-Aided Molecular Design, 2017, v. 31, n. 2, p. 213, doi. 10.1007/s10822-016-0006-1
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- Publication type:
- Article
4
RNAHelix: computational modeling of nucleic acid structures with Watson-Crick and non-canonical base pairs.
- Published in:
- Journal of Computer-Aided Molecular Design, 2017, v. 31, n. 2, p. 219, doi. 10.1007/s10822-016-0007-0
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- Publication type:
- Article
5
Fast H-DROP: A thirty times accelerated version of H-DROP for interactive SVM-based prediction of helical domain linkers.
- Published in:
- Journal of Computer-Aided Molecular Design, 2017, v. 31, n. 2, p. 237, doi. 10.1007/s10822-016-9999-8
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- Publication type:
- Article
6
Combining MOSCED with molecular simulation free energy calculations or electronic structure calculations to develop an efficient tool for solvent formulation and selection.
- Published in:
- Journal of Computer-Aided Molecular Design, 2017, v. 31, n. 2, p. 183, doi. 10.1007/s10822-016-0001-6
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- Publication type:
- Article