4 research outputs found
Intramolecular tautomerization of the quercetin molecule due to the proton transfer: QM computational study
- Author
- A. Galano
- A. Modelli
- A. Sekher Pannala
- A. Sharma
- A.A. Afonin
- A.A. Afonin
- A.A. El-Sayed
- A.N. Samoilova
- A.R. Katritzky
- B. Bax
- B.E. GarcĂa-Moreno
- C. Lee
- C. Peng
- C.F. Matta
- C.F. Matta
- C.F. Matta
- D. Amić
- D. Vasilescu
- Dennis Salahub
- Dmytro M. Hovorun
- E. Alvareda
- E. Cadenas
- E. Espinosa
- E. Wigner
- E.L. Mertz
- G. Cao
- G.R. Haenen
- H.P. Hratchian
- H.R. Masoodi
- I. Mata
- I. O. Protsenko
- I.O. Protsenko
- J. Florián
- J. Florián
- J. Florián
- J. Petrushka
- J. Tirado-Rives
- J.-G. Yang
- L. Antonov
- L. Antonov
- M. Andersen
- M. Leopoldini
- M. Musialik
- M.A. Palafox
- M.J. Frisch
- M.J. Frisch
- M.J.S. Dewar
- M.V. Sigalov
- N. Kerry
- N. Markova
- N.G. Nikitenko
- O. O. Brovarets’
- O.M. Grytsenko
- O.M. Grytsenko
- O.O. Brovarets'
- O.O. Brovarets'
- O.O. Brovarets'
- O.O. Brovarets'
- O.O. Brovarets'
- O.O. Brovarets’
- O.O. Brovarets’
- O.O. Brovarets’
- O.O. Brovarets’
- O.O. Brovarets’
- O.O. Brovarets’
- O.O. Brovarets’
- O.O. Brovarets’
- O.O. Brovarets’
- O.O. Brovarets’
- O.O. Brovarets’
- O.O. Brovarets’
- O.O. Brovarets’
- O.O. Brovarets’
- O.O. Brovarets’
- O.O. Brovarets’
- O.O. Brovarets’
- O.O. Brovarets’
- O.O. Brovarets’
- O.O. Brovarets’
- O.O. Brovarets’
- Ol’ha O. Brovarets’
- P. Trouillas
- P. Trouillas
- P.C. Hariharan
- P.J. Taylor
- P.W. Atkins
- R. Krishnan
- R. Srivastava
- R.E. Valters
- R.F.W. Bader
- R.G. Parr
- S. Antonczak
- S. Burda
- S. Olejniczak
- S. Tolosa
- S. Tolosa
- S. Vinnarasi
- S.T. Bayley
- T.V. Bogdan
- T.Y. Nikolaienko
- W. Vermerris
- Y. Li
- Y. Rong
- Y. Yang
- Y.C. Martin
- Z. Marković
- Z.S. Marković
- Publication venue
- 'Public Library of Science (PLoS)'
- Publication date
- Field of study
Extrapolation of phenolic compounds as multi-target agents against cancer and inflammation
- Author
- Publication venue
- 'Informa UK Limited'
- Publication date
- Field of study
Prototropic tautomerism and basic molecular principles of hypoxanthine mutagenicity: an exhaustive quantum-chemical analysis
- Author
- Atkins P.W.
- Bader R.F.W.
- Barone V.
- Bass B.L.
- BasĂlio Janke E.M.
- Bayley S.T.
- Benoit R.L.
- Berti P.J.
- Boys S.F.
- Brovarets’ O.O.
- Brovarets’ O.O.
- Brovarets’ O.O.
- Brovarets’ O.O.
- Brovarets’ O.O.
- Brovarets’ O.O.
- Brovarets’ O.O.
- Carbonnaux C.
- Carter R.J.
- Case-Green S.C.
- Chenon M.T.
- Chowdhury K.M.
- Civcir P.U.
- Corfield P.W.
- Cossi M.
- Costas M.E.
- Costas M.E.
- Crick F.H.C.
- Cruse W.B.
- Danilov V.I.
- Danilov V.I.
- Danilov V.I.
- Das G.
- Das G.
- De Mesmaeker A.
- Dewar M.J.S.
- Dianov G.
- Dougherty D.
- Drmanac R.
- Dybiec K.
- Espinosa E.
- Farrokhpour H.
- Fernández-Quejo M.
- Feyer V.
- Frisch M.J.
- GarcĂa-Moreno B.E.
- Gerega A.
- Gogia S.
- Govorun D.M.
- Govorun D.M.
- Grosjean H.
- Gutowski M.
- Hang B.
- Hartman Z.
- Hernández B.
- Hill-Perkins M.
- Holley R.W.
- Hovorun D.M.
- Hratchian H.P.
- Hratchian H.P.
- Hujo W.
- Hupp C.
- Iogansen A.V.
- Kamiya H.
- Karran P.
- Kawase Y.
- Kondratyuk I.V.
- Kow Y.W.
- Kumar V.D.
- Lee C.
- Leonard G.A.
- Lesley R.R.
- Lichtenberg D.
- Lin J.
- Lindahl T.
- Loakes D.
- Loakes D.
- Löwdin P.O.
- Löwdin P.O.
- Martin F.H.
- Maslova R.N.
- Mata I.
- Medeiros G.C.
- Mertz E.L.
- Miao F.
- Miura N.
- Munns A.R.I.
- Murphy F.V.
- Nichols R.
- Nikolaienko T.Y.
- Nonella M.
- Oda Y.
- Ohtsuka E.
- O’Brien P.J.
- Palva A.
- Paragi G.
- Parr R.G.
- Patil R.V.
- Pelmenschikov A.
- Peng C.
- Peng C.
- Petrushka J.
- Platonov M.O.
- Plekan O.
- Psoda A.
- Pullman B.
- Ramaekers R.
- Rice J.M.
- Román-Zimbrón M.L.
- Rutledge L.R.
- Röttger K.
- Sadlej-Sosnowska N.
- Saenger W.
- Samijlenko S.P.
- Samijlenko S.P.
- Saparbaev M.
- Saparbaev M.
- Schmalle H.W.
- Schuster H.
- Shapiro R.
- Sheina G.G.
- Sheina G.G.
- Shishkin O.V.
- Shukla M.K.
- Sordo J.A.
- Southern E.M.
- Spencer J.P.
- Stivers J.T.
- Stryer L.
- Subramanian E.
- Suggs S.V.
- Sun X.
- Sun X.
- Tirado-Rives J.
- Topal M.D.
- Uesugi S.
- Ulicny J.
- Valentine M.R.
- Verma S.
- Villabona-Monsalve J.P.
- Voet D.
- Wang J.
- Watkins N.E.
- Wigner E.
- Wink D.A.
- Wuenschell G.E.
- Xuan J.C.
- Yurenko Y.P.
- Yurenko Y.P.
- Yurenko Y.P.
- Yurenko Y.P.
- Yurenko Y.P.
- Zhang C.
- Publication venue
- 'Informa UK Limited'
- Publication date
- Field of study
Efficient estimation of MMGBSA-based BEs for DNA and aromatic furan amidino derivatives
- Author
- Aqvist J.
- Badrinarayan P.
- Becke A.D.
- Bell C.A.
- Bohari M.H.
- Boykin D.W.
- Boykin D.W.
- Braithwaite A.W.
- Brendle J.J.
- Brovarets O.O.
- Burris H.A.
- Carter C.A.
- Case D.A.
- Chattaraj P.K.
- Chenoweth D.M.
- Chourasia M.
- Darden T.
- de Jonge M.R.
- De Souza E.M.
- Ditchfield R.
- Edinger S.R.
- Ferrara P.
- Foster B.J.
- Francesconi I.
- Frisch M.J.
- GarcĂa-Nieto R.
- Gravatt G.L.
- Gresh N.
- Gresh N.
- Hochhauser D.
- Hopkins K.T.
- Houghton P.J.
- Hovorun D.M.
- Jakalian A.
- Janardhan S.
- Jones G.
- Kamal A.
- Kamal A.
- Kamal A.
- Kamal A.
- Kamal A.
- Katritzky A.R.
- Katritzky A.R.
- Kiralj R.
- Kirkwood J.G.
- Kobayashi E.
- Kollman P.A.
- Laughton C.A.
- Lee C.
- Li L.H.
- Lombardy R.L.
- Lorusso D.
- Lown J.W.
- Mallena S.
- McDonnell G.
- McKinney J.D.
- Nikolaienko T.Y.
- Othman O.E.
- Parr R.G.
- Parr R.G.
- Parr R.G.
- Parthasarathi R.
- Pasha F.A.
- Pasha F.A.
- Pearson R.G.
- Pezzoni G.
- Purschke M.
- Puzanov I.
- Ravindra G.K.
- Renneberg D.
- Schultz T.W.
- Srinivasan J.
- Srivani P.
- Srivastava H.K.
- Srivastava H.K.
- Srivastava H.K.
- Stuedli A.N.
- Thompsan J.J.
- Tidwell R.R.
- Vijay D.
- Walker D.L.
- Wang J.
- Warren C.L.
- Warren G.L.
- Yurenko Y.P.
- Zakrzewska K.
- Zimmer C.
- Zwanzig R.W.
- Publication venue
- 'Informa UK Limited'
- Publication date
- Field of study