Binding-affinity predictions of HSP90 in the D3R Grand Challenge 2015 with docking, MM/GBSA, QM/MM, and free-energy simulations
- Authors
- A Bhattacharyya
- A Klamt
- A Klamt
- A Laio
- A Pohorille
- A Schäfer
- A Schäfer
- A Suda
- BH Besler
- BL Tembe
- C Christ
- C Mulakala
- Camila Muñoz-Gutierrez
- CH Bennett
- CI Bayly
- CJ Woods
- CR Søndergaard
- D Adams
- D Hamelberg
- D Wu
- DA Case
- DB Solit
- DL Mobley
- DL Mobley
- E Gallicchio
- E McDonald
- F Eckert
- F Jensen
- F Weigend
- Francisco Adasme-Carreño
- G Duan
- GA Ross
- Geng Dong
- GL Warren
- GM Sastry
- H Gohlke
- H Hogues
- H Sun
- HJC Berendsen
- HS Muddana
- HS Muddana
- J Antony
- J Kongsted
- J Li
- J Tao
- JA Maier
- JB Cross
- JG Kirkwood
- JJ Barker
- JL Banks
- JM Seminario
- JM Wang
- JP Ryckaert
- JR Huth
- JS Isaacs
- JW Kaus
- K Nilsson
- L Hu
- L Hu
- L Hu
- L Wang
- L Wang
- L Zheng
- L Åqvist
- M Bruncko
- M Brunko
- M Kaukonen
- M Naïm
- M Sierka
- M Svensson
- Majda Misini Ignjatović
- MHM Olsson
- MR Shirts
- N Reuter
- Octav Caldararu
- P Chakrabarti
- P Liu
- P Mikulskis
- P Mikulskis
- P Mikulskis
- PA Brough
- RG Coleman
- RW Zwanzig
- S Genheden
- S Genheden
- S Genheden
- S Genheden
- S Grimme
- S Grimme
- S Grimme
- S Lindquist
- SB Cullinan
- SP Brown
- SP Brown
- T Darden
- T Steinbrecher
- T Steinbrecher
- U Ryde
- U Ryde
- Ulf Ryde
- W Sherman
- WL Jorgensen
- X Wu
- Publication date
- Publisher
- 'Springer Science and Business Media LLC'
- Doi