4 research outputs found
LUDI: rule-based automatic design of new substituents for enzyme inhibitor leads
- Author
- A. Miranker
- A. Vedani
- A.R. Fersht
- C.H. Görbitz
- C.H. Görbitz
- D.N.A. Boobbyer
- E.N. Baker
- F.C. Bernstein
- F.H. Allen
- F.H. Allen
- F.M. Richards
- H.-J. Böhm
- J. Erickson
- J. Kroon
- J.B. Moon
- J.B.O. Mitchell
- J.M. Blaney
- J.R. Huff
- J.T. Bolin
- M. Miller
- M.C. Lawrence
- P. Dauber-Osguthorpe
- P. Murray-Rust
- P.A. Bartlett
- P.J. Goodford
- R. Taylor
- R.A. Lewis
- R.L. DesJarlais
- S.J. DeSolms
- Publication venue
- 'Springer Science and Business Media LLC'
- Publication date
- Field of study
H-bonding network in fully deuterated N-methylformamide-water mixtures as studied by neutron scattering. Complementarity to X-ray study
- Author
- A. Borges
- A. Chebaane
- A. Fu
- A. Panuszko
- A.D. Headley
- A.G. Martinez
- A.H. Narten
- A.M. Zaichikov
- Abir Chebaane
- E. Kalman
- F. Hammami
- F. Hammami
- F. Hammami
- F. Hammami
- F. Hammami
- Ferid Hammami
- G. Nandiani
- G. Nandini
- G. Walford
- G.W. Neilson
- H. Ohtaki
- H.H. Paalman
- I. Blech
- J. Neuefeind
- J. Neuefeind
- J. Richardi
- J.B.O. Mitchell
- J.D. Hirst
- J.M.M. Cordeiro
- J.P. Ambroise
- M. Xiaolan
- M.-C. Bellissent-Funel
- M.-C. Bellissent-Funel
- M.-C. Bellissent-Funel
- M.-C. Bellissent-Funel
- M.-P. Ye
- M.A.M. Cordeiro
- M.W. Schmidt
- Marie-Claire Bellissent-Funel
- Mohamed Bahri
- P.C. Schoester
- R.H. Hertwigand
- R.L. Baldwin
- S. Nasr
- Salah Nasr
- T.H. Dunning
- Y. Kawashima
- Publication venue
- 'Springer Science and Business Media LLC'
- Publication date
- Field of study
Molecular dynamics simulations of peptides from BPTI: A closer look at amide—aromatic interactions
- Author
- A. Bundi
- A. Elofsson
- A. Wlodawer
- A.C. Dios de
- A.E. Mark
- A.R. Buuren Van
- Aldert R. van Buuren
- C.L. Brooks III
- C.P.M. Mierlo Van
- D. Peter Tieleman
- D.A. Case
- David van der Spoel
- E. TĂĽchsen
- G. Merutka
- G.A. Worth
- H. Bekker
- H.J.C. Berendsen
- H.J.C. Berendsen
- H.J.C. Berendsen
- H.J.C. Berendsen
- H.L. Gordon
- Herman J. C. Berendsen
- J. Caldwell
- J. Cheney
- J. Hernández-Cobos
- J. Kemmink
- J. Kemmink
- J. Kemmink
- J. Mavri
- J.B.O. Mitchell
- J.G. Pearson
- J.M. Thornton
- J.P. Ryckaert
- K. Ă–sapay
- K. Ă–sapay
- L.A. Báez
- M.P. Williamson
- MSI
- P. Ahlström
- P. Cieplak
- P.C. Jordan
- P.H. Axelsen
- P.J. Kraulis
- P.O. Ă…strand
- P.O. Ă…strand
- S. Spera
- S.-B. Zhu
- S.J. Weiner
- S.K. Burley
- S.K. Burley
- W. Kabsch
- W.L. Jorgensen
- W.L. Jorgensen
- W.L. Jorgensen
- X. Daura
- Publication venue
- 'Springer Science and Business Media LLC'
- Publication date
- Field of study
In Silico Chemogenomics Drug Repositioning Strategies for Neglected Tropical Diseases
- Author
- Achenbach J.
- AgĂĽero F.
- Alirol E.
- Altschul S.F.
- Alves V.M.
- Alves V.M.
- Andersen S.L.
- Andrews K.T.
- Ashburn T.T.
- Ashkenazy H.
- Aubé J.
- Awadzi K.
- Bahl A.
- Barakat R.
- Baranski M.C.
- Baroni M.
- Barzilai A.
- Basra A.
- Bassat Q.
- Batista J.
- Beghyn T.B.
- Ben Salah A.
- Berenstein A.J.
- Berman J.
- Berman J.D.U.S.U.
- Bern C.
- Bethony J.
- Binkowski T.A.
- Bispo N.A.
- Bland N.D.
- Bolgár B.
- Boström J.
- Boyle J.P.
- Boyle J.P.
- Braga R.C.
- Braga R.C.
- Braga R.C.
- Bredel M.
- Brkić D.
- Brown S.P.
- Bruno Junior Neves
- Budimulja A.S.
- Burr S.E.
- Buscaglia C.A.
- Caporuscio F.
- Carolina Horta Andrade
- Caron P.R.
- Cereto-Massagué A.
- Cerqueira N.M.F.S.A.
- Chakraborty A.
- Chang C.Y.
- Chavali A.K.
- Chavali A.K.
- Chen X.
- Chen X.
- Chen X.
- Cherkasov A.
- Chong C.R.
- Cibulskis R.E.
- Cleber Camilo Melo-Filho
- Colley D.G.
- Crisford A.
- Croft S.L.
- Crofts M.A.
- Das S.
- de Sá Oliveira T.
- Defranchi E.
- Diego Cabral Silva
- DiMasi J.A.
- DiMasi J.A.
- Ditzel J.
- Dobchev D.A.
- Dubus E.
- Ehrt C.
- Ekins S.
- Emad M.
- Ferreira L.G.
- Finn R.D.
- Fontana A.C.K.
- Fourches D.
- Fourches D.
- Fourches D.
- Freitas-Junior L.H.
- Galvan-Ramirez M.L.
- Gaulton A.
- Glaser F.
- Goodford P.J.
- Goupil L.S.
- GuimarĂŁes C.R.W.
- Hart J.D.
- Hoerauf A.
- Hofstraat K.
- Holliday J.D.
- Hotez P.J.
- Hou X.
- Hurle M.R.
- Jin G.
- Jomaa H.
- Jones P.
- Juliana Rodrigues
- Keiser M.J.
- Keiser M.J.
- Kharkar P.S.
- Kitchen L.W.
- Klabunde T.
- Knox C.
- Kobets T.
- Koes D.R.
- Kola I.
- Kollman P.A.
- Kortagere S.
- Koul P.A.
- Kristensen D.M.
- Kuhn M.
- Kuhn M.
- Kundu C.N.
- Lalloo D.G.
- Lateef M.
- Lavecchia A.
- Le Bras J.
- Lessa H.A.
- Li J.
- Li L.
- Liao C.
- Lima A.N.
- Lindley D.
- Lionta E.
- Litt E.
- Liu Q.
- Liu Y-X.
- Logan-Klumpler F.J.
- Luo M.
- Lyne P.D.
- Magariños M.P.
- Mansour T.E.
- Marti H.
- Martinez S.
- Martinez S.
- Martorana A.
- McFadden G.I.
- McMahon J.E.
- McMahon J.E.
- Mdachi R.E.
- Melo-Filho C.C.
- Melville J.L.
- Mestres J.
- Milletti F.
- Mitchell J.B.O.
- Moore R.B.
- Muegge I.
- Muratov E.N.
- Najmanovich R.
- Neal R.A.
- Neves B.J.
- Neves B.J.
- Neves B.J.
- Neves B.J.
- Nightingale S.L.
- Nightingale S.L.
- Njoroge M.
- Novac N.
- Nwaka S.
- Ogata H.
- Opigo J.
- Ottesen E.A.
- O’Connell E.M.
- Pang L.
- Patocka N.
- Pedrique B.
- Pedro Vitor Lemos Cravo
- Pohlig G.
- Pollastri M.P.
- Priotto G.
- Protasio A.V.
- PĂ©rez del Villar L.
- PĂ©rez-Molina J.A.
- Rahman M.S.
- Ralph S.A.
- Renslo A.R.
- Rim H.J.
- Rim H.J.
- Rodolpho Campos Braga
- Rognan D.
- Rose P.W.
- Rossignol J.F.
- Rossignol J.F.
- Saeed M.E.M.
- Sampaio S.A.
- Santos A.T.
- Sateriale A.
- Sbaraglini M.L.
- Schmid C.
- Schmitt S.
- Sindermann H.
- Singh S.
- Sonnhammer E.L.
- Sousa A.Q.
- Sousa A.Q.
- Speck-Planche A.
- Sundar S.
- Sundar S.
- Sundar S.
- Supali T.
- Swinton N.W.
- Tagboto S.K.
- Tamarozzi F.
- Tarral A.
- Taylor C.M.
- Taylor M.J.
- Taylor M.J.
- Tibayrenc M.
- Tilley L.
- Totrov M.
- Tropsha A.
- Tu H.
- Van de Erve J.
- Vuorinen A.
- Waheed A.A.
- Wang J.
- Wang Q.
- Wang Y.
- Wang Y.
- Weiss M.G.
- White A.T.
- Wilson R.J.
- Wishart D.S.
- Wood D.J.
- Woodrow C.J.
- Wyatt P.G.
- Xiao S.H.
- Yeh E.
- Yeturu K.
- Zakharov A.V.
- Zhang L.
- Zhong S.
- Zhu F.
- Zijlstra E.E.
- Zumaquero-RĂos J.L.
- Zwierz C.
- Publication venue
- 'Bentham Science Publishers Ltd.'
- Publication date
- Field of study