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- 2023
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Mark
Comparative Performance of Computer Simulation Models of Intrinsically Disordered Proteins at Different Levels of Coarse-Graining
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- Contribution to journal › Article
- 2015
-
Mark
Molecular Rift: Virtual Reality for Drug Designers
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- Contribution to journal › Article
- 2014
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Mark
A Large-Scale Test of Free-Energy Simulation Estimates of Protein-Ligand Binding Affinities.
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- Contribution to journal › Article
- 2012
-
Mark
PLS-Optimal: A Stepwise D-Optimal Design Based on Latent Variables
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- Contribution to journal › Article
-
Mark
Are homology models sufficiently good for free-energy simulations?
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- Contribution to journal › Article
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Mark
The Normal-Mode Entropy in the MM/GBSA Method: Effect of System Truncation, Buffer Region, and Dielectric Constant
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- Contribution to journal › Article
- 2011
-
Mark
Binding Affinities of Factor Xa Inhibitors Estimated by Thermodynamic Integration and MM/GBSA.
(
- Contribution to journal › Article