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15 research outputs found
Extrapolative prediction using physically-based QSAR
Author
A Golbraikh
A Jain
+50 more
A Jain
A Jain
A Jain
A Ordentlich
AA Patchett
AA Patchett
AE Cleves
AE Cleves
Ajay N. Jain
AN Jain
AN Jain
AN Jain
AN Jain
Ann E. Cleves
BP Kelley
DG Hangauer
DJ Maddalena
DM Quinn
ER Yera
ER Yera
G Klebe
H Gohlke
II Baskin
J Martin
J Stürzebecher
JJ Langham
JJ Sutherland
JJ Sutherland
L Richter
M Böhm
M Kristiansen
MG Kendall
P Chavatte
P Venkatarangan
PD Thomas
R Bergmann
R Natesh
R Spitzer
R Varela
R Varela
RD Cramer
S Wold
SA DePriest
SP Brown
SP Hollinshead
T Hadjiloi
T Schaefer
W Xu
Y Bourne
Y Bourne
Publication venue
'Springer Science and Business Media LLC'
Publication date
Field of study
Full text link
Crossref
Quantitative Structure-Based Design: Formalism and Application of Receptor-Dependent RD-4D-QSAR Analysis to a Set of Glucose Analogue Inhibitors of Glycogen Phosphorylase
Author
A. J. Hopfinger
Albuquerque M. G.
+20 more
Dahua Pan
Glen W. G.
Hong X.
Hopfinger A. J.
Karpus M.
Krasowski M. D.
Martin J. L.
Martin J. L.
Pastor M.
Ravi M.
Rogers D. G.
Santos-Filho O. A.
Santos-Filho O. A.
Tokarski J. S.
Venkatarangan P.
Venkatarangan P.
Watson K. A.
Watson K. A.
Weiner S. J.
Yufeng Tseng
Publication venue
'American Chemical Society (ACS)'
Publication date
Field of study
No full text
Crossref
3D-QSAR studies on glycogen phosphorylase inhibitors by flexible comparative molecular field analysis
Author
A. Bondi
A. Tropsha
+20 more
B. D. Silverman
C. L. Waller
C. Tanford
G. E. Kellogg
G. E. Kellogg
G. Klebe
J. Kennedy
J. Pei
M. Bollen
M. Hahn
M. Levitt
P. Gaillard
P. Venkatarangan
P. Zhou
Peng Zhou
R. D. Cramer
S. A. DePriest
W. Hasel
W. J. Welsh
ZhiLiang Li
Publication venue
'Springer Science and Business Media LLC'
Publication date
Field of study
No full text
Crossref
Evaluation of Pseudomonas aeruginosa Deacetylase LpxC Inhibitory Activity of Dual PDE4-TNFa Inhibitors: A Multiscreening Approach
Author
Bhattacharrjee A. K.
Bhattacharrjee A. K.
+21 more
Cerius
Clure C. P.
Dewar M. J. S.
Dragon
Gokhale V. M.
Hahn M. R
Hasegawa K. M.
Jacobsson M.
Kleinman E. F.
Kline T.
Mulliken R. S
Pirrung M. C.
Prathipati P.
Rogers D.
Shi L. M.
So S. S.
SYBYL
Tokarski S. H
Tokarski S. H
Venkatarangan P.
Whittington D. A.
Publication venue
'American Chemical Society (ACS)'
Publication date
Field of study
No full text
Crossref
4D-Fingerprints, Universal QSAR and QSPR Descriptors
Author
A. J. Hopfinger
Craig L. Senese
+25 more
Cramer III R. D.
Cramer III R. D.
Cramer III R. D.
D. Pan
Duca J. S.
Geladi P.
Glen W. G.
Holliday J. D.
Hong X.
Hopfinger A. J.
Hopfinger A. J.
Huang X.
Huang X.
J. Duca
James R.
Krasowski M. D.
Krasowski M. D.
Martin Y. C.
Nair A. C.
Pan D.
Rogers D.
Senese C. L.
Venkatarangan P.
Xin C.
Y. J. Tseng
Publication venue
'American Chemical Society (ACS)'
Publication date
Field of study
No full text
Crossref
CoRILISA: A Local Similarity Based Receptor Dependent QSAR Method
Author
Amat L.
Berman H. M.
+35 more
Bernstein F. C.
Bernstein F. C.
Bultinck P.
Datar P. A.
Dean P. M.
Duca J. S.
Dunn W. J.
Eckert H.
Evans C. Coutinho
Friesner R. A.
Ghuloum A. M.
Good A. C.
Good A. C.
Halgren T. A.
Jorgensen W. L.
Jorgensen W. L.
Jorgensen W. L.
Kellogg G. E.
Maggiora G. M.
Maldonado A. G.
Martin Y. C.
Pan D.
Petke J. D.
Pissurlenkar R. R. S.
Pratim Roy P.
Rogers D.
Rum G.
Senese C. L.
Seri-Levy A.
Silverman B. D.
Venkatarangan P.
Verma J.
Verma J.
Verma J.
Vijay M. Khedkar
Publication venue
'American Chemical Society (ACS)'
Publication date
Field of study
No full text
Crossref
Mutagenesis of 8-Oxoguanine Adjacent to an Abasic Site in Simian Kidney Cells: Tandem Mutations and Enhancement of GfT Transversions
Author
Abbreviations MDS
Box H. C.
+43 more
Box H. C.
Braun J. E.
Budworth H.
Cabral Neto J. B.
Cabral Neto J. B.
Cunniffe S.
Eot-Houllier G.
Gentil A.
Gentil A.
Gentil A.
Glickman B. W.
Goodhead D. T.
Grosovsky A. J.
Haracska L.
Haracska L.
Hirt B.
Jenner T. J.
Kamiya H.
Kino K.
Lawrence C. W.
Lim P.
Lipscomb L. A.
Loeb L.
Lomax M. E.
Lomax M. E.
Lu A.-L.
Malins D. C.
Michaels M. L.
Moriya M.
Nikjoo H.
Pearson C. G.
Ramos L. A.
Rosenquist T. A.
Shibutani S.
Strauss B.S.
Sutherland B. M.
Takeshita M.
Tan X.
Tindall T. R.
Venkatarangan L.
Venkhataraman R.
Wijker C. A.
Yuan J.
Publication venue
'American Chemical Society (ACS)'
Publication date
Field of study
No full text
Crossref
Estimation of Molecular Similarity Based on 4D-QSAR Analysis: Formalism and Validation
Author
A. J. Hopfinger
Albuquerque M. G.
+23 more
Ashton M. J.
Cramer R. D.
Gabarro-Arpa J.
Hopfinger A. J.
Hopfinger A. J.
Hopfinger A. J.
Ivanciuc O.
José S. Duca
Mason J.D.
McGregor M. J.
Miller M. M.
Mount J.
Nalewajski R. F.
Pickett S. D.
Pollack N.
Popelier L. A
Silverman B. D
Silverman B. D.
Szarek S. J.
Venkatarangan P.
Willet P.
Willett P.
Xu J
Publication venue
'American Chemical Society (ACS)'
Publication date
Field of study
No full text
Crossref
A Novel Shape-Feature Based Approach to Virtual Library Screening
Author
Babine R. E.
Berman H. M.
+24 more
Bohm H. J.
Christian Lemmen
Cramer R. D.
Cramer R. D.
DesJarlais R. L.
Gohlke H.
Greene J.
Hahn M
Jonathan Greene
Jones S.
Kenan D. J.
Lawrence M. C.
Makino S.
Malley M. F.
Mills J. E. J.
Muegge I.
Pastor M.
Paul Beroza
Santosh Putta
Srinivasan J.
Taylor R.
Vacca J. P
Van Drie J. H.
Venkatarangan P.
Publication venue
'American Chemical Society (ACS)'
Publication date
Field of study
No full text
Crossref
3D-Pharmacophores of Flavonoid Binding at the Benzodiazepine GABA A
Author
Albuquerque M. G.
Allinger N. L
+29 more
Dekermendjian K.
Doherty D. C.
Glen W. G.
Haberlein H.
Hopfinger A. J.
Hopfinger A. J.
Hopfinger A. J.
Huang X.
Ishiki H. M.
Kahnberg P.
Krasowski M. D.
Krogsgaard-Larsen P.
Marder M.
Marder M.
Medina J. H.
Ravi M.
Rogers D.
Rogers D.
Rossi M.
Rossi M.
Shen X.-L.
Smith G. B.
Streich D.
User's Manual 0
Vedani A.
Vedani A.
Venkatarangan P.
Walters W. P.
Woods J. H.
Publication venue
'American Chemical Society (ACS)'
Publication date
Field of study
No full text
Crossref
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