5 research outputs found
Single Mutation Induced H3N2 Hemagglutinin Antibody Neutralization: A Free Energy Perturbation Study
- Author
- Almlof M.
- Almlof M.
- Apisarnthanarak A.
- Aqvist J.
- Boressch S.
- Brady G. P.
- Brandsdal B. O.
- Brandsdal B. O.
- Bren M.
- Burton D. R.
- Darden T. A.
- Deng Y.
- Donnini S.
- Eleftheriou M.
- Fleury D.
- Gamblin S. J.
- Jayachandran G.
- Jorgensen W. L.
- Jorgensen W. L.
- Kastenholz M. A.
- Kastenholz M. A.
- Koculi E.
- Kollman P.
- Kumar S.
- Kumar S.
- Laederach A.
- Liu P.
- MacKerell A. D.
- Mark A. E.
- Pan Y.
- Pathiaseril A.
- Pathiaseril A.
- Rami Reddy M.
- Sawai T.
- Shih A. C.
- Simonson T.
- Stephenson I.
- Stevens J.
- Stevens J.
- Stevens J.
- Tembe B. L.
- Thrope I. F.
- Tirado-Rives J.
- Tumpey T. M.
- Vaitheeswaran S.
- Wang W.
- Warshel A.
- Warshel A.
- Warshel A.
- Warshel A.
- Warshel A.
- Yamada S.
- Yang W.
- Yang Z. Y.
- Zhou R.
- Zhou R.
- Publication venue
- 'American Chemical Society (ACS)'
- Publication date
- Field of study
No full textFurther Development of the FFT-based Method for Atomistic Modeling of Protein Folding and Binding under Crowding: Optimization of Accuracy and Speed
- Author
- Ando T.
- Artymiuk P. J.
- Baker N. A.
- Batra J.
- Benton L. A.
- Cerutti D. S.
- Cheung M. S.
- Cornell W. D.
- Dhar A.
- Dong H.
- Douglas J. F.
- Essmann U.
- Eswar N.
- Feig M.
- Feig M.
- Frigo M.
- Goldenberg D. P.
- Goldenberg D. P.
- Guzman I.
- Hess B.
- Hornak V.
- Huan-Xiang Zhou
- Jiao M.
- Kang M.
- Kim Y. C.
- Mattson W.
- McGuffee S. R.
- McPhalen C. A.
- Miklos A. C.
- Miklos A. C.
- Minh D. D.
- Mittal J.
- Morris G. M.
- Nagarajan S.
- Pathiaseril A.
- Qin S.
- Qin S.
- Qin S.
- Qin S.
- Qin S.
- Qin S.
- Ravichandran S.
- Rosen J.
- Sanbo Qin
- Sarkar M.
- Sugio S.
- Tjong H.
- Wang Y.
- Widom B.
- Zhou H. X.
- Zhou H. X.
- Zhou H. X.
- Zhou H. X.
- Zhou H. X.
- Publication venue
- 'American Chemical Society (ACS)'
- Publication date
- Field of study
No full textInvolvement of Water in Carbohydrate−Protein Binding: Concanavalin A Revisited
- Author
- Allen M. P.
- Bakina E.
- Becker J. W.
- Bernstein F. C.
- Bouckaert J.
- Brisson J.-R.
- Brunger A. T.
- Brunger A. T.
- Bryce R. A.
- Case D. A.
- Case D. A.
- Casset F.
- Clarke C.
- Collaborative Computational Project N.
- Darden T. A.
- Deacon A.
- Derewenda Z.
- Dimick S. M.
- Dowd M. K.
- Dunitz J. D.
- Edelman G. M.
- Elgavish S.
- Engh R. A.
- Geijtenbeek T.
- Gonzalez-Outeiriño J.
- Gupta D.
- Hamelberg D.
- Hardman K. D.
- Hummer G.
- Imberty A.
- Jones T. A.
- Jorgensen W. L.
- Juaristi E.
- Kalb A. J.
- Kansas G. S.
- Kantardjieff K. A.
- Karlsson K. A.
- Kawatkar S. P.
- Kirschner K. N.
- Kirschner K. N.
- Kroon-Batenburg L. M. J.
- Lam P. Y. S.
- Lemieux R. U.
- Li Z.
- Li Z.
- Loris R.
- Loris R.
- Lu Y.
- Mandal D. K.
- Mandal D. K.
- Moothoo D. N.
- Moothoo D. N.
- Naismith J. H.
- Naismith J. H.
- Navaza J.
- Otwinowski Z.
- Pathiaseril A.
- Peumans W. J.
- Ramachandran G. N.
- Ravishankar R.
- Read R. J.
- Ree H. J.
- Ryckaert J.-P.
- Sacchettini J. C.
- Sayers E. W.
- Sharrow S. D.
- Shirts M. R.
- Swaminathan C. P.
- Tempel W.
- Wang J.
- Weisgerber S.
- Williams B. A.
- Wlodawer A.
- Wolfe S.
- Wolfe S.
- Publication venue
- 'American Chemical Society (ACS)'
- Publication date
- Field of study
No full textCalculating Binding Free Energies for Protein–Carbohydrate Complexes
- Author
- A Ghosh
- A Onufriev
- A Onufriev
- A Pathiaseril
- B Ernst
- B Hess
- BL Foley
- BN Dominy
- BP Cossins
- C Clarke
- C Hensen
- C Jarzynski
- C Jarzynski
- C Tan
- CH Bennett
- CJ Woods
- CJ Woods
- CL Lin
- D Bucher
- D Ganguly
- D Hamelberg
- D Xu
- DA Case
- DA Case
- DA Pearlman
- DK Mandal
- DQ Zhang
- E Fadda
- E Fadda
- F Fogolari
- F Graeter
- FM Ytreberg
- FM Ytreberg
- G Hummer
- G Liang
- H Grubmuller
- H Hwang
- H Lu
- H Lu
- H Resat
- H Xiong
- HJC Berendsen
- IV Khavrutskii
- IV Khavrutskii
- J Bouckaert
- J Wang
- JB Chaires
- JG Kirkwood
- JH Naismith
- JM Rini
- JM Word
- JP Ma
- JP Ryckaert
- JPM Postma
- JR Gullingsrud
- JW Pitera
- JZ Yao
- KM Masukawa
- KN Kirschner
- L Bu
- LY Zhang
- M Balsera
- M Born
- M Fajer
- M Feig
- M Goette
- M Jorge
- M Karplus
- M Lawrenz
- M Lawrenz
- M Malaisree
- M Mezei
- M Sotomayor
- M Zacharias
- M Zacharias
- MA Cuendet
- MG Ford
- MK Gilson
- MO Jensen
- MW Mahoney
- ND Lu
- OK Dudko
- P Wang
- PS Nerenberg
- PV Maye
- R Kadirvelraj
- R Kadirvelraj
- R Kadirvelraj
- RA Bryce
- RJ Woods
- RJ Woods
- S Park
- S Park
- SM Tschampel
- T Bastug
- T Darden
- T Laitinen
- T Schneider
- T Simonson
- T Steinbrecher
- T Steinbrecher
- T Yui
- TC Beutler
- V Hornak
- V Tsui
- WC Still
- WD Cornell
- WL Jorgensen
- Y Tanida
- YQ Deng
- Z Liu
- Publication venue
- 'Springer Science and Business Media LLC'
- Publication date
- Field of study
No full textComputational Determination of the Relative Free Energy of Binding – Application to Alanine Scanning Mutagenesis
- Author
- A Glattli
- A Miranker
- A Nicholls
- A Nicholls
- A Onufriev
- A Onufriev
- A Pathiaseril
- A Wallqvist
- A Wallqvist
- A Warshel
- A Warshel
- AA Bogan
- AD Gorse
- AD MacKerell
- AD Mackerell Jr
- AE Mark
- Ajay
- AK Rappe
- AM Smondyrev
- AP Silva de
- AR Fersht
- AR Leach
- B Honig
- B Honig
- B Jayaram
- B Kuhlman
- B Kuhn
- B Kuhn
- B Nolting
- B Roux
- B Tidor
- B Tidor
- B Xia
- BC Braden
- BC Braden
- BC Braden
- BC Cunnigham
- BJ Sellergren
- BR Brooks
- BR Brooks
- C Alhambra
- C Jarque
- C Simmerling
- C Wilso
- CH Bennett
- CM Reyes
- CS Ewig
- D Baker
- D Bashford
- D Bouzida
- D Bouzida
- D Frenkel
- D Gillis
- D Hall
- D Janezic
- D Janezic
- D Qiu
- D Roccatano
- D Thirumalai
- DA Pearlman
- DB Gordon
- DG Covell
- DK Jones-Hertzog
- DL Beveridge
- DL Chapman
- DR Davies
- DR Davies
- DR Langley
- E Demchuk
- E Gallicchio
- E Gallicchio
- EB Wilson
- EM Engler
- EZ Wen
- F Fogolari
- F Mohamadi
- FB Sheinerman
- FB Sheinerman
- G Archontis
- G Archontis
- G Kaminski
- G Moont
- G Roxstrom
- G Schreiber
- GhoshA Elder R
- GM Torrie
- GM Torrie
- GM Verkhivker
- GM Verkhivker
- GM Verkhivker
- GM Verkhivker
- GM Verkhivker
- GM Verkhivker
- H Gohlke
- H Gohlke
- H Gouda
- H Zhu
- HJ Böhm
- HJ Böhm
- HJC Berendsen
- HQ Nakamura
- HW Anthonsen
- HY Liu
- I Friedberg
- I Massova
- I Massova
- I Muegge
- ID Wall
- IK Roterman
- IK Roterman
- IS Moreira
- IS Moreira
- IS Moreira
- IS Moreira
- IS Moreira
- J Aqvist
- J Aqvist
- J Florian
- J Gao
- J Janin
- J Moult
- J Novotny
- J Pitera
- J Ponder
- J Pons
- J Srinivasan
- J Wagoner
- J Wang
- J Wang
- J Warwicker
- J Weiser
- J Weiser
- J Weiser
- J Ã…qvist
- J Ã…qvist
- JA McCammon
- JA McCammon
- JA Wells
- JA Wells
- JA Wells
- JA Wells
- JC Shelley
- JD Madura
- JE Nielsen
- JG Kirkwood
- JM Haile
- JM Thornton
- JMJ Swanson
- JPM Postma
- JVL Beckers
- JW Pitera
- K Gundertofte
- K Gundertofte
- K Sharp
- K Sharp
- KA Dill
- KA Dill
- KA Dill
- KB Ljungberg
- KJ Naidoo
- KP Murphy
- L Jiang
- L Wesson
- LL Conte
- LT Chong
- M Feig
- M Gilson
- M Gouy
- M Karplus
- M Levitt
- M Mezei
- M Nina
- M Olson
- M Perutz
- M Schapira
- M Shen
- M Whitlow
- MA Lopez
- MAL Eriksson
- MD Eldridge
- MD Paulsen
- ME Davis
- ME Davis
- ME Davis
- MJ Lubienski
- MJ Sippl
- MK Gilson
- MK Gilson
- MK Gilson
- ML Connolly
- ML Lamb
- ML Lamb
- MR Arkin
- MR Arkin
- MR Lee
- MW Mahoney
- N Brooijmans
- N Foloppe
- N Rogers
- NA Baker
- NA Metropolis
- NK Banavalli
- NL Allinger
- NV Dokholyan
- O Berger
- O Bjørn Brandsdal
- O Keskin
- O Michielin
- O Tapia
- OM Becker
- P Bash
- P Hobza
- PA Kollman
- PA Kollman
- PA Kollman
- PE Smith
- PJ Gane
- Q Deng
- R Luo
- R Zhou
- RB Hill
- RB Russel
- RJ Radmer
- RM Kini
- RW Zwanzig
- S Banba
- S Banba
- S Banba
- S Boresh
- S Huo
- S Höfinger
- S Jones
- S Reiling
- S Vadja
- SC Agalarov
- SJ Marrink
- SJ Weiner
- SR Niketic
- T Clackson
- T Hansson
- T Hansson
- T Kortemme
- T Kortemme
- T Kortemme
- T Kortemme
- T Laitinen
- T Lazaridis
- T Lazaridis
- T Simonson
- T Zhang
- TA Halgren
- TA Halgren
- TA Halgren
- TE Cheatham
- TE Cheatham
- TE Cheatham III
- TI Oprea
- TN Bhat
- TS Lee
- U Essmann
- U Stocker
- V Guillet
- V Tsui
- V Tsui
- W Dall’Acqua
- W Dam
- W Im
- W Rocchia
- W Rocchia
- W Wang
- W Wang
- W Wang
- W Wang
- Wang JM
- WC Still
- WC Still
- WD Cornell
- WE Stites
- WF DeGrado
- WF Gunsteren van
- WF Gunsteren van
- WL Jorgensen
- WL Jorgensen
- WL Jorgensen
- X Frader
- XJ Kong
- YN Vorobjec
- YN Vorobjev
- YN Vorobjev
- YY Sham
- Z Guo
- Z Hendsch
- ZJ Hu
- ZY Guo
- Publication venue
- 'Springer Science and Business Media LLC'
- Publication date
- 01/01/2007
- Field of study
No full text
