5 research outputs found
New Trypanosoma cruzi Trypanothione Reductase Inhibitors Identification using the Virtual Screening in Database of Nucleus Bioassay, Biosynthesis and Ecophysiology (NuBBE)
- Author
- Bern C.
- Bond C.S.
- Bouvier G.
- Braga R.C.
- Braga R.C.
- Chan C.
- Fairlamb A.H.
- Ferreira A.M.
- Gasteiger J.
- Goodford P.G.
- Herricks J.R.
- Hotez P.J.
- Irwin J.J.
- Jaeger T.
- Kennedy C.
- Khan M.O.
- Krauth-Siegel R.L.
- Krieger S.
- Letunic I.
- Lipinski C.A.
- Liu Q.
- Maccari G.
- Mantsyzov A.B.
- Morris G.M.
- Morris G.M.
- Noya B.A.
- Olsson M.H.M.
- Paixão V.G.
- Paulino M.
- Pires D.E.V.
- Pita S.S.R.
- Pita S.S.R.
- Renslo A.R.
- Rodrigues P.R.
- Sant’Anna C.M.R.
- Schmidt T.J.
- Thummel K.E.
- Valli M.
- Venkatesan S.K.
- Zhang Y.
- Publication venue
- 'Bentham Science Publishers Ltd.'
- Publication date
- Field of study
No full textThe crystal structure of methanol dehydrogenase, a quinoprotein from the marine methylotrophic bacterium Methylophaga aminisulfidivorans MPT
- Author
- A. Pol
- C. Abergel
- C. Anthony
- C. Anthony
- C. Anthony
- C.A. Haynes
- C.C.F. Blake
- D. Archer
- D. Suplatov
- D. Suplatov
- D.R. Kester
- G.M. Marion
- G.N. Murshudov
- H.G. Kim
- H.G. Kim
- I. Halevy
- J. Li
- J.M. Choi
- J.M. Choi
- Jin Myung Choi
- K. Knittel
- M. Ghosh
- M. Heldal
- M. Nojiri
- M.A. Culpepper
- M.H.M. Olsson
- N. Echols
- N.A. Baker
- P. Emsley
- P.A. Williams
- R.C. Edgar
- R.J.M.V. Spanning
- S.F. Altschul
- Si Wouk Kim
- Sung Haeng Lee
- T.K. Harris
- Thinh-Phat Cao
- V.B. Chen
- Y.J. Zheng
- Z.X. Xia
- Z.X. Xia
- Publication venue
- 'Springer Science and Business Media LLC'
- Publication date
- 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 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
- Field of study
No full textThe In Silico Drug Discovery Toolbox: Applications in Lead Discovery and Optimization
- Author
- Adamczyk A.J.
- Afzelius L.
- Agostino Bruno
- Akella L.B.
- Al Khalifa A.
- Altschul S.F.
- Athanasiadis E.
- Backman T.W.H.
- Baell J.B.
- Baldwin J.J.
- Ballabio D.
- Bamford S.
- Belk D.
- Bender A.
- Benson D.A.
- Bento A.P.
- Berman H.
- Berman H.M.
- Biasini M.
- Bickerton G.R.
- Blagg J.
- Boc A.
- Bortolato A.
- Bortolato A.
- Briggs K.
- Brown C.M.
- Brown D.
- Buch I.
- Capelli A.M.
- Car R.
- Carosati E.
- Caspi R.
- Check Hayden E.
- Chen J.
- Chen J.H.
- Chenna R.
- Chevenet F.
- Chichester C.
- Chothia C.
- Congreve M.
- Cook D.
- Cooper D.N.
- Cosconati S.
- Costanzi S.
- Cozzini P.
- Croft D.
- Darvas F.
- De Vivo M.
- De Vivo M.
- Decherchi S.
- Dias R.
- Dickson A.
- Dixon S.L.
- Doerr S.
- Dolinsky T.J.
- Dominguez C.
- Douguet D.
- Dror R.O.
- Durdagi S.
- Dymock B.W.
- Edgar R.C.
- Ertl P.
- Ertl P.
- Fabregat A.
- Fernandez D.
- Ferruz N.
- Forbes S.A.
- Forli S.
- Francisco A.P.
- Frey J.G.
- Friesner R.A.
- Frushicheva M.P.
- Frushicheva M.P.
- Furuhashi M.
- Futreal P.A.
- Gabriele Costantino
- Gasteiger J.
- Gedeck P.
- Genheden S.
- Geppert H.
- Giannozzi P.
- Goodsell D.S.
- Gora-Tybor J.
- Greenman C.
- Grosdidier A.
- Grubmüller H.
- Halgren T.
- Hammond T.G.
- Hartenfeller M.
- Hillisch A.
- Hopkins A.L.
- Hsiao Y-W.
- Hu Y.
- Hu Y.
- Hughes J.D.
- Hussein H.A.
- Ilyin V.A.
- Inanobe A.
- Irwin J.J.
- Isberg V.
- Jacobson M.P.
- Jarzynski C.
- Jazayeri A.
- Jazayeri A.
- Katsila T.
- Kawabata T.
- Kim S.
- Kirchmair J.
- Kitano H.
- Kitchen D.B.
- Klein K.
- Klepeis J.L.
- Korb O.
- Korb O.
- Kozakov D.
- Kuhn B.
- Kuhn T.
- Kumar S.
- Kuntz I.D.
- Kurgan L.A.
- Lagorce D.
- Laio A.
- Langedijk J.
- Langowski J.
- Laurie A.T.R.
- Law V.
- Leach A.R.
- Lee T-S.
- Lelimousin M.
- Lewis D.F.
- Lewis D.F.
- Liang G.
- Liebeschuetz J.W.
- Limongelli V.
- Lipinski C.A.
- Liu H.
- London N.
- Luca Sartori
- Maass P.
- Maga G.
- Maggiora G.
- Manglik A.
- Marco Radi
- MartÃnez-Rosell G.
- Marx V.
- Maskos K.
- Matters M.
- Matthews D.A.
- Mauri A.
- Metz J.T.
- Miao Y.
- Michel J.
- Mitcheson J.S.
- Mollica L.
- Muegge I.
- Munos B.
- Mustata G.
- Nabuurs S.B.
- Njoroge F.G.
- Notredame C.
- Obiol-Pardo C.
- Olsson M.H.M.
- Ondetti M.A.
- Osterberg F.
- Oswald C.
- Overington J.P.
- Pammolli F.
- Paoletta S.
- Patel M.N.
- Patel S.
- Paul S.M.
- Pearlstein R.
- Pethica R.
- Petrey D.
- Picas L.
- Pierce B.G.
- Pinot M.
- Poberžnik M.
- Preti D.
- Ranwez V.
- Ratnam J.
- Ratni H.
- Ravindranath P.A.
- Reymond J-L.
- Richter L.
- Roberts N.A.
- Robinson O.
- Rudik A.V.
- Rudik A.V.
- Ruiz-Carmona S.
- Rücker C.
- Sabbadin D.
- Sadreyev R.I.
- Sali A.
- Salvalaglio M.
- Santos R.
- Sastry M.
- Sato K.
- Schenone S.
- Schmidtke P.
- Schneider G.
- Schneider G.
- Schuffenhauer A.
- Schönfeld D.L.
- Schüller A.
- Segall M.D.
- Shan Y.
- Shen S-Y.
- Sheppard G.S.
- Sherman W.
- Sherman W.
- Siegal G.A.B.
- Sliwoski G.
- Smits S.A.
- Song C.M.
- Song W.
- Stahl M.
- Stenson P.D.
- Stornaiuolo M.
- Suchard M.A.
- Sushko I.
- Talafous J.
- Tarcsay A.
- Terstappen G.C.
- Tetko I.V.
- Tintori C.
- Tiwary P.
- Tiwary P.
- Tolomeo M.
- Torrie G.M.
- Totrov M.
- Trott O.
- Truchon J-F.
- Truchon J-F.
- Tseng Y.Y.
- Tummino P.J.
- Vallance P.
- Valsson O.
- van der Kamp M.W.
- Van Drie J.H.
- van Vlijmen H.
- Vaughan T.G.
- Villoutreix B.O.
- Vincetti P.
- von Itzstein M.
- Walters W.P.
- Wang C.
- Wang C.
- Wang L.
- Wang R.
- Wang W.
- Wang Y.
- Warshel A.
- Warshel A.
- Warshel A.
- Warshel A.
- Wassermann A.M.
- Watts K.S.
- Webber S.E.
- Wendt M.D.
- Willett P.
- Willighagen E.L.
- Wirth M.
- Wolber G.
- Wood J.M.
- Xie L.
- Yan Y.
- Yap C.W.
- Yarnitzky T.
- Zhang D.
- Zhang H.
- Zhang H.
- Zhang Z.
- Zheng M.
- Zheng Y.
- Zsila F.
- Publication venue
- 'Bentham Science Publishers Ltd.'
- Publication date
- Field of study
No full text
