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5 research outputs found
Quantenchemisch-pharmakologische Untersuchungen von Antimalaria-Wirkstoffen
Author
B. J. Graves
Bernd M. Rode
+17 more
C. Petrolongo
D. B. Boyd
F. Cara
J. A. Pople
L. E. Sutton
M. C. Manning
Michael G. Schwendinger
N. V. Joshi
P. R. Andrews
R. E. Christoffersen
R. S. Mulliken
S. K. Kokpol
Sirirat U. Kokpol
Supa Polman
Supot V. Hannongbua
Y. G. Swyers
Y. Shinagawa
Publication venue
'Springer Science and Business Media LLC'
Publication date
Field of study
No full text
Crossref
Effect of Halogen Substitutions on dUMP to Stability of Thymidylate Synthase/dUMP/mTHF Ternary Complex Using Molecular Dynamics Simulation
Author
Aqvist J.
Barrett J. E.
+41 more
Barrett J. E.
Bas D. C.
Bren M.
Bren U.
Bren U.
Bren U.
Bren U.
Bren U.
Cai Q.
Cai Q.
Carreras C. W.
Case D. A.
Chavan S.
Chiericatti G.
Danenberg P. V.
Fritz T. A.
Gohlke H.
Hamza A.
Hardy L. W.
Hawkins G. D.
Hawkins G. D.
Honig B.
Jarmuła A.
Jorgensen W.
Lee F. S.
Li H.
Liu Y.
Matthews D. A.
Moore M. A.
Nopporn Kaiyawet
Parker W. B.
Perry K. M.
Ryckaert J. P.
Santi D. V.
Santi D. V.
Sitkoff D.
Spencer H. T.
Stroud R. M.
Supot Hannongbua
Thanyada Rungrotmongkol
York D. M.
Publication venue
'American Chemical Society (ACS)'
Publication date
Field of study
No full text
Crossref
Rotational Motion of Pentane in the Flat γ Cages of Zeolite KFI
Author
Andreas Schüring
Arthorn Loisruangsin
+36 more
Auerbach S. M.
Beerdsen E.
Böhlmann W.
Demontis P.
Demontis P.
Demontis P.
Demontis P.
Fritzsche S.
Fritzsche S.
Fritzsche S.
Geil B.
Ghorai P. K.
Heink W.
Huwe A.
Huwe A.
Isfort O.
Jobic H.
Kärger J.
Kärger J.
Lipari G.
Magusin P. C. M. M.
Magusin P. C. M. M.
Min B.
Mukhopadhyay R.
Oraphan Saengsawang
Parise J. B.
Pieter C. M. M. Magusin
Ryckaert J. P.
Schwerk U.
Siegfried Fritzsche
Siepmann J. I.
Stallmach F.
Supot Hannongbua
Tawun Remsungnen
Yashonath S.
Zorine V.
Publication venue
'American Chemical Society (ACS)'
Publication date
Field of study
No full text
Crossref
High-Level QM/MM Calculations Support the Concerted Mechanism for Michael Addition and Covalent Complex Formation in Thymidylate Synthase
Author
Adrian J. Mulholland
Ahmad S. I.
+51 more
Barrett J. E.
Becke A. D.
Bijnsdorp I. V.
Brooks B. R.
Carreras C. W.
Claeyssens F.
Crehuet R.
Danenberg P. V.
Dunning T. H.
Field M. J.
Finer-Moore J. S.
Foloppe N.
Fritz T. A.
Gerenkamp M.
Grimme S.
Harvey J. N.
Jorgensen W.
Kanaan N.
Kendall R. A.
Lawan N.
Lee C.
Longley D. B.
Lonsdale R.
Lonsdale R.
Lonsdale R.
MacKerell A. D.
Moore M. A.
Nopporn Kaiyawet
Olsson M. H. M.
Perry K. M.
Phan J.
Ponder J. W.
Richard Lonsdale
Ridder L.
Rode W.
Rolfe R.
Ryckaert J. P.
Santi D. V.
Santi D. V.
Seno T.
Spencer H. T.
Stephens P. J.
Stroud R. M.
Supot Hannongbua
Søndergaard C. R.
Thanyada Rungrotmongkol
van der Kamp M. W.
van der Kamp M. W.
Werner H.-J.
Woodcock H. L.
Woon D. E.
Publication venue
'American Chemical Society (ACS)'
Publication date
Field of study
No full text
Crossref
Key Binding and Susceptibility of NS3/4A Serine Protease Inhibitors against Hepatitis C Virus
Author
Arthitaya Meeprasert
Bostan N.
+50 more
Case D. A.
da Cunha E. F. F.
De Francesco R.
Duan Y.
Durantel D.
Ferguson M. C.
Frecer V.
Fried M. W.
Frisch M. J.
Gallinari P.
Gohlke H.
Halfon P.
He Y.
Hou T.
Johansson A.
Jorgensen W. L.
Kaiyawet N.
Khuntawee W.
Kollman P. A.
Lagace L.
Lauer G. M.
Lemke C. T.
Lenz O.
Li X.
Li X.
Lin C.
Lin K.
Lindenbach B. D.
Love R. A.
Meeprasert A.
Olsson M. H. M.
Ontoria J. M.
Perni R. B.
Prongay A. J.
Romano K. P.
Romano K. P.
Rungrotmongkol T.
Ryckaert J.-P.
Seiwert S. D.
Supot Hannongbua
Thanyada Rungrotmongkol
Tong L.
Wang J.
Wei H. Y.
White P. W.
Xue W.
Xue W.
Xue W.
Yi M.
York D. M.
Publication venue
'American Chemical Society (ACS)'
Publication date
Field of study
No full text
Crossref