13 research outputs found
QM/MM Molecular Dynamics Study of the Galactopyranose → Galactofuranose Reaction Catalysed by Trypanosoma cruzi UDP-Galactopyranose Mutase
- Author
- A Weston
- AR Dinner
- ARL Teixeira
- B Jann
- B Tefsen
- BA Dmitriev
- C Bern
- C Hensen
- C Whitfield
- CB Barnett
- D Cremer
- DA Case
- DA Sanders
- DC Chatfield
- DC Crick
- DC Turnock
- DT Major
- EC Dykhuizen
- Emily Parker
- F Himo
- FS Lee
- G Pierdominici-Sottile
- G Pierdominici-Sottile
- G Pierdominici-Sottile
- G Pierdominici-Sottile
- G Stevenson
- GM Torrie
- Gustavo Pierdominici-Sottile
- H Nikaido
- HG Sun
- HL Woodcock
- IC Almeida
- JE Ralton
- JI MacRae
- JJ Tanner
- JM Chad
- JN Barlow
- Johan F. Galindo
- Juliana Palma
- K Beis
- K Kizjakina
- KE van Straaten
- L Boechi
- LL Pedersen
- M Berst
- M Garcia-Viloca
- M Oppenheimer
- M Soltero-Higgin
- MA Cunningham
- MAJ Ferguson
- MJ McConville
- O Kol
- PS Schmalhorst
- R Dhatwalia
- R Dhatwalia
- RA Damveld
- RC Davenport
- Rodrigo Cossio PĂ©rez
- S Karunan Partha
- S Kumar
- S Turco
- SK Partha
- SM Beverley
- T KrĂĽger
- TD Gruber
- TD Gruber
- VS Issa
- W Huang
- WD Cornell
- WL Jorgensen
- X Biarns
- Y Yuan
- Yl Lin
- Z Ahmed
- Z Huang
- Publication venue
- 'Public Library of Science (PLoS)'
- Publication date
- Field of study
No full textThermodynamic framework for identifying free energy inventories of enzyme catalytic cycles
- Author
- Publication venue
- 'Proceedings of the National Academy of Sciences'
- Publication date
- Field of study
No full textUnraveling the Differences of the Hydrolytic Activity of Trypanosoma cruzi
- Author
- Adrian E. Roitberg
- Alonso de Armiño D. J.
- Amaya M. F.
- Andrews N. W.
- Barnett C. B.
- Bruner M.
- Buscaglia C. A.
- Buschiazzo A.
- Buschiazzo A.
- Capoferri L.
- Cerecetto H.
- Chatfield D. C.
- Clayton J.
- Cornell W. D.
- Coura J. R.
- Cunningham M. A.
- Damager I.
- Darden T. A. Y. D. P. L.
- Davenport R. C.
- Davies G. J.
- de M Seabra G.
- Demir O.
- Dinner A. R.
- Doron D.
- Elstner M.
- Ferrero-GarcĂa M. A.
- Garcia-Viloca M.
- Gustavo Pierdominici-Sottile
- Guthrie R. D.
- Hensen C.
- Hornak V.
- Hotez P. J.
- Houk K. N.
- Juan A. Bueren-Calabuig
- KrĂĽger T.
- Kumar S.
- Lodola A.
- Major D. T.
- Miller B. R.
- More O’
- Mulholland A. J.
- Neres J.
- Neres J.
- Oppezzo P.
- Paris G.
- Paris G.
- Pauling L.
- Pereira M. E.
- Pereira-Chioccola V. L.
- Pierdominici-Sottile G.
- Pierdominici-Sottile G.
- Pontes-de-Carvalho L. C.
- Rassi A.
- Roe D. R.
- Schauer R.
- Schauer R.
- Schauer R.
- Schenkman R. P.
- Schenkman S.
- Scudder P.
- Senn H. M.
- Smith L. E.
- Taylor G.
- Telleria J.
- Tyler K. M.
- Vanicek J.
- Varki A.
- Watts A. G.
- Watts A. G.
- Watts A. G.
- Wong K.-Y.
- Woodcock H. L.
- Yoshida N.
- Publication venue
- 'American Chemical Society (ACS)'
- Publication date
- Field of study
No full textDesign of Trypanosoma rangeli sialidase mutants with improved trans-sialidase activity
- Author
- A Buschiazzo
- AE Lin
- Anne S. Meyer
- B Bissaro
- B Zeuner
- C Jers
- C Vera
- Carsten Jers
- Christian Nyffenegger
- E Gasteiger
- G Paris
- G Pierdominici-Sottile
- I Damager
- Isabelle ANDRE
- J Holck
- J Luo
- Jørn Dalgaard Mikkelsen
- L Bode
- L Castillo-Courtade
- M Michalak
- ME Pereira
- MF Amaya
- MF Amaya
- RT Nordvang
- Rune Thorbjørn Nordvang
- S Angeloni
- T Saito
- Publication venue
- 'Public Library of Science (PLoS)'
- Publication date
- Field of study
No full textExploring conformational states and helical packings in the P2X receptor transmembrane domain by molecular dynamics simulation
- Author
- A Karasawa
- A Miyazawa
- AD Vogt
- B Hess
- BK Ho
- C Chothia
- C Habermacher
- CC Chen
- CL Morales-Perez
- DD Mowrey
- FHC Crick
- G Heymann
- G Kasuya
- G Kasuya
- G Pierdominici-Sottile
- GH Li
- Guo-Hua Li
- HH Wu
- J Dai
- J Du
- J-L Popot
- J-P Changeux
- JU Bowie
- LE Browne
- M Gimpelev
- M Hattori
- M Li
- MJ Abraham
- N Unwin
- RB Best
- RF Walters
- S Kracun
- SE Mansoor
- T Darden
- T Kawate
- TL Mai
- YH Huang
- Z Chen
- Publication venue
- 'Springer Science and Business Media LLC'
- Publication date
- Field of study
No full textInsights into the Mechanistic Dichotomy of the Protein Farnesyltransferase Peptide Substrates CVIM and CVLS
- Author
- Bing Wang
- Carol A. Fierke
- Cox A. D.
- Cui G.
- Cui G.
- Cui G.
- Dolence J. M.
- Doll R. J.
- Edelstein R. L.
- Elstner M.
- Elstner M.
- Elstner M.
- Gronert S.
- Guanglei Cui
- Guo H.
- Guo H.
- Hartman H. L.
- Ho M.-H.
- Hougland J. L.
- Huang C. C.
- Kenneth M. Merz
- Lamphear C. L.
- Long S. B.
- Long S. B.
- Melek N. Ucisik
- Moreira N. H.
- Pais J. E.
- Pickett J. S.
- Pierdominici-Sottile G.
- Purich D. L.
- Reid T. S.
- Saderholm M. J.
- Sousa S. F.
- Sousa S. F.
- Sousa S. F.
- Strickland C. L.
- Tobin D. A.
- Truhlar D. G.
- Truhlar D. G.
- Warshel A.
- Xu D. G.
- Xu D. G.
- Yang Y.
- Yang Y.
- Yue Yang
- Zhang F. L.
- Publication venue
- 'American Chemical Society (ACS)'
- Publication date
- Field of study
No full textCatalytic Mechanism of L,D-Transpeptidase 2 from Mycobacterium tuberculosis
- Author
- Adrian E. Roitberg
- Araujo Silva J. R.
- Barnett C. B.
- Biarrotte-Sorin S.
- Case D.
- Chatfield D. C.
- Chivers P. T.
- Cláudio Nahum Alves
- Dinner A. R.
- Dubee V.
- Elstner M.
- Erdemli S. B.
- Fauci A. S.
- Field M. J.
- Fisher J. F.
- Gandhi N. R.
- Garcia-Viloca M.
- Gaus M.
- Gupta R.
- Haenni M.
- Harris T. K.
- Harrison M. J.
- Hensen C.
- Hornak V.
- Jindani A.
- Jorgensen W. L.
- José Rogério A. Silva
- Koul A.
- Kruger T.
- Lamichhane G.
- Lavollay M.
- Lecoq L.
- Lee T.-S.
- Lee T.-S.
- Lewis K.
- Li H.
- Li W.-J.
- Lundberg M.
- Ma S.
- Major D. T.
- Marti S.
- McIntosh L. P.
- Mladenovic M.
- Nolan S. T.
- Pauling L.
- Phillips D. C.
- Pierdominici-Sottile G.
- Pierdominici-Sottile G.
- Polgar L.
- Polgar L.
- Reis M.
- Riccardi D.
- Rosta E.
- Ruiz-Pernia J. J.
- Ryckaert J. P.
- Seabra G. d. M.
- Senn H. M.
- Strajbl M.
- Tipper D. J.
- Tipper D. J.
- Triboulet S.
- van der Kamp M. W.
- Veziris N.
- Vocadlo D. J.
- Wang J. M.
- Warshel A.
- Wei D.
- WHO.
- Wong K.-Y.
- Woodcock H. L.
- Zhou M. M.
- Publication venue
- 'American Chemical Society (ACS)'
- Publication date
- Field of study
No full textMethods for Improving Enzymatic Trans-glycosylation for Synthesis of Human Milk Oligosaccharide Biomimetics
- Author
- Abels C.
- Ahmed F.
- Ajisaka K.
- Ajisaka K.
- Ajisaka K.
- Amaya M. F.
- Anne S. Meyer
- Baeza R.
- BayĂłn C.
- BayĂłn C.
- Benešová E.
- Berteau O.
- Birgitte Zeuner
- Bode L.
- Bojarová P.
- Boon M. A.
- Bridiau N.
- Bridiau N.
- Bridiau N.
- Brocke C.
- Buschiazzo A.
- Carsten Jers
- Cleland W. W.
- Cobucci-Ponzano B.
- Cobucci-Ponzano B.
- Cogoli A.
- Damager I.
- Drouillard S.
- Eneyskaya E. V.
- Farkas E.
- Farkas E.
- Feng H. Y.
- Fernando S. F.
- Fierfort N.
- Finch P.
- Franke J.
- Giacomini C.
- Goldfeder M.
- Gosling A.
- Guo Y.
- Hansson T.
- Hansson T.
- Hernaiz M. J.
- Holck J.
- Ichikawa Y.
- Ichikawa Y.
- Ito Y.
- Jers C.
- Jørn Dalgaard Mikkelsen
- Kaftzik N.
- Kasche V.
- Koshland D.
- Lang M.
- Lee S.-G.
- Li W.
- Lu L.
- Luo J.
- Ma L.
- Mackenzie L. F.
- Makimura Y.
- Michalak M.
- Mitchell F. L.
- Mohapatra M.
- Murata T.
- Nath A.
- Neelima
- Newstead S.
- Oliveira I. A.
- Osanjo G.
- Paris G.
- Partridge J.
- Peruffo A. D. B.
- Perugino G.
- Pierdominici-Sottile G.
- Pierdominici-Sottile G.
- Rastall R. A.
- Reuter S.
- Roberts H. R.
- Rodrigues R. C.
- RodrĂguez-DĂaz J.
- Rye C. S.
- Saito T.
- Sakai K.
- Sakurama H.
- Sandoval M.
- Sandoval M.
- Schmidt D.
- Schröder S.
- Scudder P.
- Sen D.
- Sen D.
- Shaikh F. A.
- Singh S.
- Suzuki K.
- Svensson S. C. T.
- Tanaka H.
- Teze D.
- Thiem J.
- Thiem J.
- Tran V.
- Trincone A.
- Usui T.
- van Rantwijk F.
- Vandekerckhove F.
- Vetere A.
- Vetere A.
- Vetere A.
- Vetere A.
- Wada J.
- Warmerdam A.
- Watson J. N.
- Watson J. N.
- Williams S. J.
- Woudenberg-van Oosterom M.
- Yoon J. H.
- Zeng X.
- Zeng X.
- Zeuner B.
- Zeuner B.
- Publication venue
- 'American Chemical Society (ACS)'
- Publication date
- 01/01/2014
- Field of study
No full textComputer simulations of quantum tunnelling in enzyme-catalysed hydrogen transfer reactions
- Author
- A. Fernandez-Ramos
- A. Fersht
- A. González-Lafont
- A. Kohen
- A. Kohen
- A. Kohen
- A. Kohen
- A. Soudackov
- A. Warshel
- A. Warshel
- A. Warshel
- A.J. Mulholland
- A.J. Nicoll
- A.M. Kuznetsov
- Adrian J. Mulholland
- B.J. Bahnson
- B.J. Bahnson
- C. Alhambra
- C. Alhambra
- C. Alhambra
- C.A. Fierke
- C.J. Weston
- C.M. Bathelt
- C.R. Pudney
- D. Antoniou
- D. Antoniou
- D. Antoniou
- D.G. Truhlar
- D.G. Truhlar
- D.G. Truhlar
- D.G. Truhlar
- D.H. Lu
- D.M. Epstein
- D.O. Hayward
- D.P. Sun
- D.T. Major
- E. Hatcher
- E. Hatcher
- E.P. Wigner
- E.R. Lippincott
- F. Claeyssens
- F. Claeyssens
- G. Maglia
- G. Pierdominici-Sottile
- G. Pierdominici-Sottile
- G. Tresadern
- G. Tresadern
- G. Tresadern
- H.B. Brooks
- H.B. Liu
- H.B. Liu
- H.M. Senn
- I. Tejero
- I.F. Thorpe
- I.F. Thorpe
- J. Basran
- J. Basran
- J. Basran
- J. Basran
- J. F. Morrison
- J. Kraut
- J. Mavri
- J. Villa
- J. Zurek
- J.K. Hwang
- J.K. Hwang
- J.M. Woodley
- J.P. Klinman
- J.P. Klinman
- J.S. Mincer
- J.S. Mincer
- J.W.H. Li
- J.Y. Pang
- J.Y. Pang
- J.Z. Pu
- J.Z. Pu
- K.E. Ranaghan
- K.E. Ranaghan
- K.E. Ranaghan
- K.L. Grant
- K.M. Doll
- K.M. Doll
- K.W. Rickert
- Kara E. Ranaghan
- L. Masgrau
- L. Masgrau
- L. Masgrau
- L. Pauling
- L. Ridder
- L.G. Arnaut
- L.O. Johannissen
- L.O. Johannissen
- L.Y. Chen
- M. Barroso
- M. Barroso
- M. Barroso
- M. Garcia-Viloca
- M. Garcia-Viloca
- M. Garcia-Viloca
- M. Tehei
- M.E. Schneider
- M.H. Olsson
- M.H.M. Olsson
- M.H.M. Olsson
- M.J. Knapp
- M.J. Knapp
- M.J. Sutcliffe
- M.J. Sutcliffe
- M.P. Meyer
- M.W. Kamp van der
- M.W. Kamp van der
- N. Agrawal
- N. Lehnert
- P. Atkins
- P.E.M. Siegbahn
- P.F. Faulder
- P.K. Agarwal
- P.K. Agarwal
- Q. Wang
- R. Wolfenden
- R.A. Marcus
- R.E. Wyatt
- R.G. Parr
- R.P. Bell
- R.P. Bell
- R.P. Feynman
- R.S. Sikorski
- R.S. Swanwick
- R.S. Swanwick
- S. Caratzoulas
- S. Hammes-Schiffer
- S. Hammes-Schiffer
- S. Hammes-Schiffer
- S. Hay
- S. Hay
- S. Hay
- S. Nunez
- S. Panke
- S.C. Sharma
- S.J. Benkovic
- S.R. Billeter
- S.R. Billeter
- S.S. Iyengar
- T. Dams
- T. Jonsson
- V.L. Davidson
- W. Siebrand
- W.A. Francisco
- W.D. Cornell
- W.L. Smith
- Y. Cha
- Y.P. Liu
- Y.P. Liu
- Publication venue
- 'Springer Science and Business Media LLC'
- Publication date
- 01/03/2010
- Field of study
No full textProtein targets of thiazolidinone derivatives in Toxoplasma gondii and insights into their binding to ROP18
- Author
- A Backes
- A Backes
- AC Tripathi
- AF Arenas
- AK Wernimont
- Alejandro Hernández
- AP Liesen
- B Gajria
- BK Ho
- C Rocha-Roa
- C Silveira
- C Simpson
- Cristian Rocha-Roa
- CS Carvalho
- D Case
- D Lim
- DC Lim
- DE Hill
- Diego Molina
- E Torres-Morales
- Edwar Cortes
- EF Pettersen
- ET Larson
- G Kozlov
- G Morris
- G Neudert
- G Pierdominici-Sottile
- G Sliwoski
- H El Hajj
- H Gohlke
- H Sun
- IA Guedes
- J Du
- J MĂĽller
- JF de Oliveira
- Jorge E. GĂłmez-MarĂn
- JP Kallio
- JPJ Saeij
- KL Meagher
- L Xu
- LH Bosch-Driessen
- Lina Pedraza
- LJ Parker
- M D’Ascenzio
- MG Pedersen
- O Billker
- O Trott
- P Benkert
- P Li
- PD Lyne
- R An
- R Wang
- RA Laskowski
- Rodrigo Cossio-PĂ©rez
- RP TenĂłrio
- S Carradori
- S Hayward
- S Kaur Manjal
- SK Halonen
- SS Taylor
- T Hermanns
- T Schwede
- TM de Aquino
- V Barone
- V Sánchez
- W Humphrey
- W Qiu
- X Zhang
- Y Aye
- Y Guex-Crosier
- Publication venue
- 'Springer Science and Business Media LLC'
- Publication date
- Field of study
No full text
