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22 research outputs found
Evaluation of the role of multiple hydrogen bonding in offering stability to negative ion adducts in electrospray mass spectrometry
Author
A. D. Becke
A. Fura
+48Â more
B. A. Cerda
B. A. Cerda
B. J. Deppmeier
B. Mulroney
C. Blondel
C. J. Cramer
C. Peng
G. E. Hofmeister
G. Khairallah
G. Khairallah
G. Khairallah
G. Smith
G. Wang
J. A. Carroll
J. B. Peel
J. D. D. Martin
J. E. Bartmess
J. P. Perdew
J. W. Brown
J. Zhu
J. Zhu
J. Zhu
J.-F. Gal
K. A. Harrison
K. A. Jebber
K. Hiraoka
K. M. Ervin
M. Fujio
M. J. S. Dewar
M. Karas
M. Meuwly
M. T. Rodgers
M. Yamashita
P. Burk
P. J. Polavarapu
R. B. Cole
R. G. Cooks
S. E. Barrows
T. A. Halgren
T. Fuji
T. Ii
U. Salzner
W. J. Hehre
W. J. Hehre
X. Cheng
X. Cheng
Y. Cai
Y. Nishida
Publication venue
'Elsevier BV'
Publication date
Field of study
Full text link
Crossref
Gas phase reactions of trimethyl borate with phosphates and their non-covalent complexes
Author
A. Filippi
B. J. Deppmeier
+17Â more
G. E. Reid
H. Suming
H. Wel van der
J. A. Pople
J. E. Bartmess
J. P. Kiplinger
K. Takashima
M. J. Frisch
M. J. Frisch
R. A. J. O’Hair
R. A. Morris
R. A. Morris
R. Kniep
R. N. Hayes
S. Gronert
S. Gronert
S. Gronert
Publication venue
'Elsevier BV'
Publication date
Field of study
Full text link
Crossref
Stereoselectivity in the collision-activated reactions of gas phase salt complexes
Author
A. Filippi
A. Filippi
+43Â more
A. Filippi
A. Filippi
A. Paladini
B. Botta
B. J. Deppmeier
D. S. Gross
D. V. Augusti
D. V. Dearden
D. V. Dearden
D. X. Zhang
E. Camara
F. Mohamadi
G. Fago
G. Grigorean
G. Grigorean
G. Grigorean
G. Renzi
J. S. Splitter
K. J. Koch
K. Mikami
L. M. Wu
M. J. Frisch
M. Speranza
M. Speranza
R. A. Sneen
S. Ahn
S. Gronert
S. Gronert
S. Gronert
S. N. Gong
S. Piccirillo
T. A. Halgren
W. A. Tao
W. A. Tao
W. A. Tao
W. A. Tao
W. A. Tao
W. A. Tao
W. A. Tao
W. A. Tao
W. H. Saunders
Y. J. Liang
Y. J. Liang
Publication venue
'Elsevier BV'
Publication date
Field of study
Full text link
Crossref
Computational Study of the Addition of Methanethiol to 40+ Michael Acceptors as a Model for the Bioconjugation of Cysteines
Author
Deppmeier B.
Frisch M. J.
Wadhwa P.
Publication venue
'American Chemical Society (ACS)'
Publication date
Field of study
No full text
Crossref
QSAR, DFT and molecular modeling studies of peptides from HIV-1 to describe their recognition properties by MHC-I
Author
DeLano W. L.
Deppmeier B. J.
+3Â more
Frisch M. J.
Reust C. E.
Weiler G.
Publication venue
'Informa UK Limited'
Publication date
Field of study
No full text
Crossref
Charge and Temperature Dependence of Biomolecule Conformations: K +
Author
Amy L. Nicely
Bush M. F.
+20Â more
Bush M. F.
Campbell N. A.
Carney J. R.
Clarkson J. R.
Deppmeier B. J.
Dorothy J. Miller
Fraley P. E.
Frisch M. J.
Gorelsky S. I.
Irikura K. K.
James M. Lisy
Kamariotis A.
Klots C. E.
Lemoff A. S.
Miller D. J.
Miller D. J.
Miller D. J.
Schmitt M.
Vaden T. D.
Zwier T. S.
Publication venue
'American Chemical Society (ACS)'
Publication date
Field of study
No full text
Crossref
Calculation of the Dipole Moment for Polypeptides Using the Generalized Born-Electronegativity Equalization Method: Results in Vacuum and Continuum-Dielectric Solvent
Author
Bakowies D.
Bashford D.
+26Â more
Bondi A.
Böttcher C. J. F.
Chelli R.
Chelli R.
Cho K.-H.
Cong Y.
Cramer C. J.
Deppmeier B. J.
Dias L. G.
Gasteiger J.
Ghosh A.
Jorgensen W. L.
Kaminski G. A.
Lipinski J.
Menegon G.
Mortier W. J.
Nilar S. H.
Pascual-Ahuir J. L.
Pearson R. G.
Ribeiro M. C. C.
Rick S. W.
Sharp K.
Storer J. W.
Tomasi J.
Yang Z.-Z.
York D. M.
Publication venue
'American Chemical Society (ACS)'
Publication date
Field of study
No full text
Crossref
Dication induced stabilization of gas-phase ternary beta-cyclodextrin inclusion complexes observed by electrospray mass spectrometry
Author
A. Mele
A. R. Hedges
+38Â more
B. Garcia
B. J. Deppmeier
C. B. Lebrilla
D. Bongiorno
D. R. Lide
E. Lehmann
G. Grigorean
H. J. Schneider
J. A. Hamilton
J. B. Cunniff
J. F. Helling
J. Ramirez
J. Ramirez
J. Szejtli
K. A. Kellersberger
K. B. Lipkowitz
K. H. Jogun
K. Harata
K. Srinivasan
K. Uekama
L. Prokai
M. L. Bender
M. V. Rekharsky
N. N. Greenwood
P. Camilleri
P. Cescutti
P. Politzer
R. Bakhtiar
R. L. Sheppard
R. Ramanathan
R. T. Gallagher
S. G. Penn
S. Li
T. A. Halgren
W. Saenger
W. Sun
Y. Matsui
Y. Ohashi
Publication venue
'Elsevier BV'
Publication date
Field of study
No full text
Crossref
How to face COVID-19: proposed treatments based on remdesivir and hydroxychloroquine in the presence of zinc sulfate. Docking/DFT/POM structural analysis
Author
Ben Hadda T.
Ben Hadda T.
+26Â more
Ben Hadda T.
Ben Hadda T.
Brintzinger H. H.
Chatterjee B. D.
Cruz-Rodriguez L.
Deppmeier B. J.
Eyring H.
Frisch M. J.
Grib I.
Hocquet A.
Jarrahpour A.
Kamal A. M.
Mabkhot Y.
Messali M.
Messali M.
Murray J. S.
Nasruddin G. U.
Piaz F. D.
Rachedi K. O.
Rad J. A.
Radi S.
Rauf A.
Rbaa M.
Sajid Z.
Tighadouni S.
Xu Z.
Publication venue
'Informa UK Limited'
Publication date
Field of study
No full text
Crossref
Charge Transfer Transitions in Neutral and Ionic Polypeptides: A Theoretical Study
Author
Andersson K.
Andersson K.
+43Â more
Andersson K.
Baranov L.
Barnes D. G.
Basch H.
Bensing J. L.
Chen X. G.
Clark L. B.
Demchenko A. P.
Deppmeier B. J.
Edwards W. D.
Frisch M. J.
Gray H. B.
Hill R. R.
Hunt H. D.
Langen R.
Malmqvist P.
Mataga N.
McGimpsey W. G.
McMillin C. R.
Moffitt W.
Mommi R. K.
Moser C. C.
Newton M. D.
Pajcini V.
Robin M. B.
Roos B. O.
Roos B. O.
Roos B. O.
Roos B. O.
Roos B. O.
Roos B. O.
Roos B. O.
Serrano-Andrés L.
Serrano-Andrés L.
Serrano-Andrés L.
Serrano-Andrés L.
Siegbahn P. E. M.
Sigfridsson E.
Tozer D. J.
Weinkauf R.
Weinkauf R.
Weinkauf R.
Widmark P.-O.
Publication venue
'American Chemical Society (ACS)'
Publication date
Field of study
No full text
Crossref
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