7 research outputs found
DR-Predictor: Incorporating Flexible Docking with Specialized Electronic Reactivity and Machine Learning Techniques to Predict CYP-Mediated Sites of Metabolism
- Author
- Bergeron C.
- Bernstein F.
- Bolton E.
- Burton J.
- Campagna-Slater V.
- Charles Bergeron
- Cruciani G.
- Curt M. Breneman
- Dietterich T.
- Ekroos M.
- Friesner R.
- Guengerich F.
- Harrelson J.
- Hennemann M.
- Hritz J.
- Isin E.
- Jed Zaretzki
- Jung J.
- Kirton S.
- Kristin P. Bennett
- Meunier B.
- Moors S.
- Morris G.
- Najmanovich R.
- O’Boyle N.
- O’Boyle N.
- Prusis P.
- Prusis P.
- Rydberg P.
- Rydberg P.
- Röhrig U.
- Sansen S.
- Santos R.
- Sevrioukova I.
- Shaik S.
- Sheridan R.
- Singh S.
- SkopalĂk J.
- Sykes M.
- Tao-wei Huang
- Trott O.
- Vasanthanathan P.
- Wang J.
- Williams P.
- Yuan Z.
- Zaretzki J.
- Zaretzki J.
- Zheng M.
- Zhou D.
- Publication venue
- 'American Chemical Society (ACS)'
- Publication date
- Field of study
Behavior of Human Cytochromes P450 on Lipid Membranes
- Author
- Baylon J. L.
- Berger O.
- Berka K.
- Berka K.
- Black S. D.
- Brown C. A.
- Cojocaru V.
- Cojocaru V.
- Conner K. P.
- Denisov I. G.
- Domanski T. L.
- Fishelovitch D.
- Ghosh M. C.
- Headlam M. J.
- Hendrychová T.
- Hess B.
- Jiang W.
- Johnson E. F.
- Karel Berka
- Kiselyova O. I.
- Krishnamoorthy N.
- Li W.
- Li W.
- Markéta Paloncýová
- Michal Otyepka
- Nussio M. R.
- Ohta Y.
- Oostenbrink C.
- Otyepka M.
- Otyepka M.
- Ozalp C.
- Paloncýová M.
- Pavel Anzenbacher
- Petřek M.
- Petřek M.
- Poulos T.
- Sali A.
- Schleinkofer K.
- Sehnal D.
- Sgrignani J.
- SkopalĂk J.
- von Wachenfeldt C.
- Wade R. C.
- Wilderman P. R.
- Wolf M. G.
- Publication venue
- 'American Chemical Society (ACS)'
- Publication date
- Field of study
Protein Dynamics Studied with Ultrafast Two-Dimensional Infrared Vibrational Echo Spectroscopy
- Author
- Ansari A.
- Atkins W. M.
- Bagchi S.
- Bagchi S.
- Bandaria J. N.
- Boehr D. D.
- Chin J. K.
- Chung J. K.
- Chung J. K.
- Collins J. R.
- Ekroos M.
- Erzberger J. P.
- Eyring H.
- Fang C.
- Frauenfelder H.
- Frauenfelder H.
- Frederick K. K.
- Ganim Z.
- Guengerich F. P.
- Hammes-Schiffer S.
- Harris D.
- Henzler-Wildman K. A.
- Hong M. K.
- Igumenova T. I.
- Ishikawa H.
- Jimenez R.
- Johnson J. B.
- Kim Y. S.
- Kim Y. S.
- Kwak K.
- Kwak K.
- Kwak K.
- Li T. S.
- Lim M.
- Loida P. J.
- Massari A. M.
- Megan C. Thielges
- Merchant K. A.
- Michael D. Fayer
- Middleton C. T.
- Moilanen D. E.
- Muller J. D.
- Oliveberg M.
- Parak F.
- Park S.
- Petit C. M.
- Sakurai K.
- Schlichting I.
- Scott E. E.
- SkopalĂk J.
- Teeter M. M.
- Thielges M. C.
- Thielges M. C.
- Tilton R. F.
- Vojtechovsky J.
- Wade R. C.
- White R. E.
- Williams P. A.
- Winn P. J.
- Zheng J.
- Zheng J.
- Publication venue
- 'American Chemical Society (ACS)'
- Publication date
- Field of study
Anatomy of enzyme channels
- Author
- A Guskov
- A Warshel
- AM Knight
- B Eisenberg
- B Roux
- B Wallace
- B Wilkinson
- C Maffeo
- CJ Webby
- CT Porter
- D Lemoine
- D Sehnal
- DA Kraut
- David Sehnal
- EE Pryor
- GL Holliday
- H Berman
- J Kyte
- J Park
- J Sgrignani
- J SkopalĂk
- Jaroslav KoÄŤa
- JJ Kasianowicz
- JM Zimmerman
- JR Cherry
- K Berka
- K Houborg
- KA Dill
- Karel Berka
- Lukáš Pravda
- M Garcia-Viloca
- M Otyepka
- M Pavlova
- MD Salter
- Michal Otyepka
- N Furnham
- NR Voss
- Pavel Banáš
- Radka Svobodová Vařeková
- Roman A Laskowski
- S Benkovic
- S Rengachari
- S Xu
- SJ Lee
- T Hendrychová
- TK Lundell
- V Stepankova
- X Huang
- Y Madrona
- Y-L Cui
- Publication venue
- 'Springer Science and Business Media LLC'
- Publication date
- Field of study
CytochromeP450 isoenzyme specificity in the metabolism of anti-malarial biguanides: molecular docking and molecular dynamics analyses
- Author
- AA Eskandarian
- AF Crowther
- AH Lu
- AR Leach
- BM Greenwood
- BM Greenwood
- BS Bajwa
- C Funck-Brentano
- CJ Canfield
- CJ Canfield
- CR Satyanarayana
- D Wirth
- DC Warhurst
- DF Wirth
- DH Kaump
- Dhilon S. Patel
- DJ Birkett
- DS Diaz
- F Hawking
- F Nosten
- G Jones
- GJ Martyna
- HC Carrington
- IM Tonkin
- J Curtis
- J Hritz
- J Le Bras
- J SkopalĂk
- J Wiesner
- J Yuvaniyama
- JA McCammon
- JD Wright
- JK Coller
- K Na-Bangchang
- KH Rieckmann
- KH Rieckmann
- KH Rieckmann
- M Ekroos
- M Ingelman-Sundberg
- M Jurima
- M. Ramesh
- MD Edstein
- MJ Frisch
- MM Nyunt
- NA Helsby
- NA Helsby
- NA Helsby
- NP Jensen
- Prasad V. Bharatam
- PV Bharatam
- R Butler
- RA Friesner
- RH Black
- RT Delfino
- S Biswas
- S Gemma
- S Sridaran
- T Dasgupta
- TA Halgren
- TW Shearer
- U Essman
- WL Jorgensen
- WL Jorgensen
- Y Ito
- Y Wattanagoon
- Y Yuthavong
- Z Desta
- Publication venue
- 'Springer Science and Business Media LLC'
- Publication date
- Field of study
Conformational diversity analysis reveals three functional mechanisms in proteins
- Author
- A del Sol
- A Gora
- A Gutteridge
- A. Cooper
- AD Mesecar
- AJ Martin
- AK Dunker
- Alexander Miguel Monzon
- AM Lesk
- AM Monzon
- AM Monzon
- C Schulenburg
- C-J Tsai
- C-J Tsai
- CA Orengo
- Christine A. Orengo
- D Piovesan
- D Sehnal
- D Zea
- DA Case
- DE Koshland
- DE Koshland
- Diego Javier Zea
- E Chovancova
- E Potenza
- G Parisi
- G Parsiegla
- Gustavo Parisi
- H Frauenfelder
- HX Zhou
- J Janin
- J Monod
- J SkopalĂk
- K Berka
- K Gunasekaran
- K Sikic
- L Biedermannová
- L Pravda
- LL Lovelace
- M Elias
- M Gerstein
- M Gerstein
- M Ikura
- M Shatsky
- M Vihinen
- MarĂa Silvina Fornasari
- MF Perutz
- MI Lobanov
- MMO Peña
- NR Voss
- O Vital de Oliveira
- P Bork
- P Tompa
- P Tompa
- P V Burra
- PZ Gatzeva-topalova
- Q Cui
- R Nussinov
- R van der Lee
- RB Best
- RS Myers
- Sebastian Fernandez-Alberti
- Silvio C. E. Tosatto
- T Mittag
- Tadeo E. Saldaño
- TE Adams
- TP Ko
- U Hobohm
- V Le Guilloux
- V Vacic
- X Liu
- Y Gu
- Y Li
- Y Loewenstein
- Publication venue
- 'Public Library of Science (PLoS)'
- Publication date
- Field of study
MOLE 2.0: advanced approach for analysis of biomacromolecular channels
- Author
- A Guskov
- A Herráez
- B Huang
- B Sanson
- BK Ho
- BW Matthews
- Crina-Maria Ionescu
- CT Porter
- DA Doyle
- David Sehnal
- DG Levitt
- DT Jones
- DW Nebert
- E Chovancova
- E Yaffe
- E Yaffe
- GP Brady
- H Cid
- J Brezovsky
- J Kyte
- J SkopalĂk
- J Wiesner
- Jaroslav KoÄŤa
- JM Zimmerman
- JW Murray
- K Berka
- K Berka
- K Ravichandran
- Karel Berka
- L Biedermannová
- L Schrödinger
- Lukáš Pravda
- M Hendlich
- M Otyepka
- M Otyepka
- M Pavlova
- M Pellegrini-Calace
- M Petrek
- M Petrek
- M Raunest
- Michal Otyepka
- MK Gilson
- N Unwin
- NM DeVore
- NR Voss
- NR Voss
- OS Andersen
- OS Smart
- P Brzezinski
- P Medek
- P-H Lee
- Pavel Banáš
- R MacKinnon
- RA Dwyer
- RA Laskowski
- Radka Svobodová Vařeková
- RC Wade
- RG Coleman
- SK Ludemann
- SK LĂĽdemann
- SPH Alexander
- T Hendrychova
- T Walz
- TC Pochapsky
- TL Poulos
- V Cojocaru
- Veronika Navrátilová
- Y Jiang
- Y Liu
- Y-B Teng
- Publication venue
- 'Springer Science and Business Media LLC'
- Publication date
- Field of study