| no |
title |
author |
magazine |
year |
volume |
issue |
page(s) |
type |
| 1 |
Binding of cyclic carboxylates to octa-acid deep-cavity cavitand
|
Gibb, Corinne L. D.
|
|
2013
|
28 |
4 |
p. 319-325
|
article
|
| 2 |
Blind prediction of HIV integrase binding from the SAMPL4 challenge
|
Mobley, David L.
|
|
2014
|
28 |
4 |
p. 327-345
|
article
|
| 3 |
Blind prediction of SAMPL4 cucurbit[7]uril binding affinities with the mining minima method
|
Muddana, Hari S.
|
|
2014
|
28 |
4 |
p. 463-474
|
article
|
| 4 |
Combining in silico and in cerebro approaches for virtual screening and pose prediction in SAMPL4
|
Voet, Arnout R. D.
|
|
2014
|
28 |
4 |
p. 363-373
|
article
|
| 5 |
Converging free energies of binding in cucurbit[7]uril and octa-acid host–guest systems from SAMPL4 using expanded ensemble simulations
|
Monroe, Jacob I.
|
|
2014
|
28 |
4 |
p. 401-415
|
article
|
| 6 |
Exhaustive docking and solvated interaction energy scoring: lessons learned from the SAMPL4 challenge
|
Hogues, Hervé
|
|
2014
|
28 |
4 |
p. 417-427
|
article
|
| 7 |
Free-energy perturbation and quantum mechanical study of SAMPL4 octa-acid host–guest binding energies
|
Mikulskis, Paulius
|
|
2014
|
28 |
4 |
p. 375-400
|
article
|
| 8 |
Interrogating HIV integrase for compounds that bind- a SAMPL challenge
|
Peat, Thomas S.
|
|
2014
|
28 |
4 |
p. 347-362
|
article
|
| 9 |
Prediction of SAMPL4 host–guest binding affinities using funnel metadynamics
|
Hsiao, Ya-Wen
|
|
2014
|
28 |
4 |
p. 443-454
|
article
|
| 10 |
The SAMPL4 host–guest blind prediction challenge: an overview
|
Muddana, Hari S.
|
|
2014
|
28 |
4 |
p. 305-317
|
article
|
| 11 |
Virtual screening of integrase inhibitors by large scale binding free energy calculations: the SAMPL4 challenge
|
Gallicchio, Emilio
|
|
2014
|
28 |
4 |
p. 475-490
|
article
|
| 12 |
Virtual screening of the SAMPL4 blinded HIV integrase inhibitors dataset
|
Colas, Claire
|
|
2014
|
28 |
4 |
p. 455-462
|
article
|
| 13 |
Virtual screening with AutoDock Vina and the common pharmacophore engine of a low diversity library of fragments and hits against the three allosteric sites of HIV integrase: participation in the SAMPL4 protein–ligand binding challenge
|
Perryman, Alexander L.
|
|
2014
|
28 |
4 |
p. 429-441
|
article
|
Journal description