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3 research outputs found

Prediction of cyclin-dependent kinase 2 inhibitor potency using the fragment molecular orbital method

Author: A Good
A Jakalian
A Jakalian
A van der Vaart
A van der Vaart
A Warshel
AJ Stone
AV Ishchenko
B Honig
B Kuhn
B Kuhn
BK Shoichet
CA Chang
CJR Illingworth
CW Murray
DA Pearlman
DG Fedorov
DG Fedorov
DJ Cole
DL Beveridge
DW Zhang
E Freire
E Perola
FS Lee
G Rastelli
GL Warren
H Gohlke
H Umeyama
H Watanabe
H Watanabe
H-J Böhm
I Kurisakia
J Ran
J Rezác
J Tirado-Rives
JP Gallivan
K Fukuzawa
K Kitaura
K Kitaura
K Kitaura
K Raha
K Raha
K Raha
M Congreve
M Kontoyianni
M Mammen
M Stahl
M Suenaga
M Suenaga
Mark Whittaker
MB Peters
MD Eldridge
Michael P Mazanetz
MK Gilson
MP Mazanetz
MS Gordon
MW Schmidt
O Trott
Osamu Ichihara
P Jurecka
P Mecozzi
P Söderhjelm
PA Kollman
PG Wyatt
RB Hermann
Richard J Law
RPA Bettens
S Amari
S Dixon
S Hitaoka
S Tsuzuki
S Wold
SA Hassan
SA Hayik
SM Schwarzl
T Hansson
T Nakano
T Nakano
T Nemoto
T Steinbrecher
T Yoshida
T Yoshida
T Yoshida
V Lafont
W DeLano
WL Jorgensen
X He
YN Imai
YY Sham
Publication venue: BioMed Central
Publication date
Field of study

Combined QM/MM (ONIOM) and QSAR Approach to the Study of Complex Formation of Matrix Metalloproteinase-9 with a Series of Biphenylsulfonamides–LERE-QSAR Analysis (V)

Author: Akira Mashima
Ananikov V. P.
Andreini C.
Anzellotti A. I.
Barone V.
Bayly C. I.
Bren M.
Bren U.
Case D. A.
Christianson D. W.
Chuman H.
Corradi H. R.
Creemers E. E.
Dolinsky T. D.
Dunitz J. D.
Freire E.
Frisch M. J.
Galis Z. S.
Gallicchio E.
Gonzalez C.
Gordon M. S.
Grimme S.
Gupta S. P.
Hansch C.
He X.
Hirao H.
Hirao H.
Hiroshi Chuman
Hiroshi Matoba
Hitaoka S.
Hitaoka S.
Johnson L. L.
Jorgensen W. L.
Ke Z.
Kollman P. A.
Krishnamurthy V. M.
Li X.
Lipscomb W. N.
Lundberg M.
Lundberg M.
Lundberg M.
Maret W.
Matthews B. W.
Mazanetz M. P.
Munei Y.
Noyes R. M.
Overall C. M.
O’Brien P. M.
Parks W. C.
Pelmenschikov V.
Rashin A. A.
Sbardella D.
Seiji Hitaoka
Sekharan S.
Sekharan S.
Sharp K.
Svensson M.
Takuya Sugimoto
Tao P.
Tatsusada Yoshida
Tochowicz A.
Tomasi J.
Tomasi J.
Verma R. P.
Vreven T.
Wang J.
Wang J.
Yoshida T.
Yoshida T.
Yoshida T.
Yoshida T.
Yoshida T.
Publication venue: 'American Chemical Society (ACS)'
Publication date
Field of study

Correlation Analyses on Binding Affinity of Sialic Acid Analogues with Influenza Virus Neuraminidase-1 Using ab Initio MO Calculations on Their Complex Structures

Author: Abu Hammad A. M.
Amaro R. E.
Babu Y. S.
Bayly C. I.
Bayly C. I.
Berendsen H. J. C.
Bonnet P.
Bonnet P.
Bren M.
Bren U.
Bren U.
Bren U.
Carroll S. M.
Case D. A.
Centers for Disease Control and Prevention.
Chong A. K. J.
Chong A. K. J.
Chong A. K. J.
Chothia C.
Chuman H.
Clarke C.
Collins P. J.
Collins P. J.
Colman P. M.
Cornell W. D.
Darden T. A.
De Clercq E.
Dimmock N. J.
Dolinsky T. D.
Du Q.-S.
Du Q.-S.
Du Q.-S.
Fedorov D. G.
Ferraris O.
Frederick K. K.
Frisch M. J.
Fukuzawa K.
Gloster T. M.
Gloster T. M.
Gubareva L. V.
He X.
Hiroshi Chuman
Ishikawa T.
Iwata T.
Kim C. U.
Kim C. U.
Kitaura K.
Ladbury J. E.
Lee B.
Li Y.
Malaisree M.
Masataka Harada
Masukawa K. M.
McKimm-Breschkin J. L.
Meyer E. A.
Mitrasinovic P. M.
Mochizuki Y.
Moscona A.
Nakano T.
Park J. W.
Perdih A.
Reece P. A.
Richard M.
Russell R. J.
Ryckaert J.-P.
Scott A. D.
Seiji Hitaoka
Sham Y. Y.
Smith B. J.
Smith B. J.
Sun J.
Swaminathan C. P.
Tatsusada Yoshida
Taylor N. R.
Taylor N. R.
Udommaneethanakit T.
Varghese J. N.
Varghese J. N.
Varghese J. N.
Verma R. P.
von Itzstein M.
von Itzstein M.
Wall I. D.
Wang J.
Wang J.
Wang T.
Wen W.-H.
World Health Organization.
Yoshida T.
Yoshida T.
Yoshida T.
Yoshida T.
Zhang J.
Zhang Q.
Zheng M.
Publication venue: 'American Chemical Society (ACS)'
Publication date
Field of study

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