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16 research outputs found
Dependence of the inversion barrier of the aziridine nitrogen atom on the HCH angles
Author
A. V. Eremeev
H. Nakanishi
+4 more
J. K. Crandall
J.-M. Lehn
M. A. Shokhen
R. G. Kostyanovskii
Publication venue
'Springer Science and Business Media LLC'
Publication date
Field of study
No full text
Crossref
EMBM − A New Enzyme Mechanism-Based Method for Rational Design of Chemical Sites of Covalent Inhibitors
Author
Amnon Albeck
Bachand B.
+41 more
Boger D. L.
Christianson D. W.
Costanzo M. J.
Edwards P. D.
Edwardsp P. D.
Frankfater A.
Gohlke H.
Golbraikh A.
Houk K. N.
Keserü G. M.
Klamt A.
Lee D.
Lipinski C. A.
Maple J. R.
Maryanoff B. E.
Michael Shokhen
Michal Hirsch
Neta Uritsky
Ozeri R.
Robertson J. G.
Rogers D.
Schramm V. L.
Seierstad M.
Shokhen M.
Shokhen M.
Shokhen M.
Shokhen M.
Smellie A.
Smellie A.
Smellie A.
Stewart J. J. P.
Subramaniam Vijayakumar
Tamar Traube
Tavares F. X.
Warshel A.
Warshel A.
Webber S. E.
Wolfenden R.
Wolfenden R.
Yang G. F.
Zhang X.
Publication venue
'American Chemical Society (ACS)'
Publication date
Field of study
No full text
Crossref
Analysis of the effect of the number of ?-oxygen and ?-fluorine atoms on the nucleophilicity of amines relative to a carbonyl substrate
Author
A. P. Grekov
A. V. Eremeev
+12 more
H. Fisher
M. A. Shokhen
M. A. Shokhen
M. M. Heaton
N. J. Fina
R. C. Bingham
R. G. Kostyanovskii
S. Rosenberg
T. C. Bruice
W. B. England
W. H. Graham
W. P. Jencks
Publication venue
'Springer Science and Business Media LLC'
Publication date
Field of study
No full text
Crossref
The Catalytic Machinery of Rhomboid Proteases: Combined MD and QM Simulations
Author
Amnon Albeck
Baker R. P.
+52 more
Bentzien J.
Bibi E.
Bondar A. N.
Brooks C. L.
Daqing Gao D.
Duan Y.
Erez E.
Essman U.
Freeman M.
Ha Y.
Ha Y.
Hedstrom L.
Ishida T.
Kato S.
Klamt A.
Krieger E.
Krieger E.
Lemberg M. K.
Lemieux M. J.
Lide D.
Loewnthal R.
Michael Shokhen
Mignon P.
Miyamoto S.
Neta Uritsky
Pierrat O. A.
Reddy T
Shokhen M.
Shokhen M.
Shokhen M.
Shokhen M.
Stewart J. J. P.
Stewart J. J. P.
Topf M.
Topol I. A.
Urban S.
Urban S.
Urban S.
Urban S.
Urban S.
Vinothkumar K. R.
Vinothkumar K. R.
Wang Y.
Wang Y.
Warshel A.
Warshel A.
Wolfe M. S.
Wu Z.
Wu Z.
Xue Y.
Xue Y.
Zhou Y.
Publication venue
'American Chemical Society (ACS)'
Publication date
Field of study
No full text
Crossref
Asymmetric nitrogen 60. Acylation as a pathway to optically active 1,3,3-trisubstituted diaziridines
Author
A. G. Yurchenko
A. Rauk
+13 more
G. V. Shustov
G. V. Shustov
H. Heine
H. Hâkli
J. D. Morrison
M. A. Shokhen
R. G. Kostyanovskii
R. G. Kostyanovskii
R. G. Kostyanovskii
R. G. Kostyanovskii
R. G. Kostyanovskii
S. N. Denisenko
T. Polonski
Publication venue
'Springer Science and Business Media LLC'
Publication date
Field of study
No full text
Crossref
An Internal Water-Retention Site in the Rhomboid Intramembrane Protease GlpG Ensures Catalytic Efficiency
Author
Baker
Baker
+33 more
Ben-Shem
Berger
Bond
Bondar
Brown
Erez
Grossfield
Holyoake
Kandt
Koide
Lemieux
Lomize
Selkoe
Shokhen
Sinisa Urban
Syed M. Moin
Tieleman
Urban
Urban
Urban
Urban
Urban
Urban
Van Der Spoel
van Gunsteren
Vinothkumar
Wang
Wang
Wolfe
Wu
Yanzi Zhou
Yesylevskyy
Yingkai Zhang
Publication venue
'Elsevier BV'
Publication date
Field of study
No full text
Crossref
Theoretical analysis of peptidyl α-ketoheterocyclic inhibitors of human neutrophil elastase: Insight into the mechanism of inhibition and the application of QM/MM calculations in structure-based drug design
Author
Alhambra
An-Zhi
+48 more
Becke
Besler
Bode
Cornell
Daggett
Dodson
Edwards
Edwards
Fersht
Field
Gleeson
Goodford
Hall
Hansson
Harrison
Head
Huo
Huo
Ian H. Hillier
Ishida
Jones
Jorgensen
Karaman
Lee
Liang
Ljungberg
M. Paul Gleeson
Neil A. Burton
Nishihira
Pierce
Price
Scheiner
Shokhen
Stanton
Stewart
Strajbl
Taylor
Topf
Topf
Topf
Topf
Tresadern
Tresadern
Wang
Warshel
Warshel
Zhang
Åqvist
Publication venue
'Royal Society of Chemistry (RSC)'
Publication date
01/01/2004
Field of study
No full text
Crossref
Stabilizing of a Globular Protein by a Highly Complex Water Network: A Molecular Dynamics Simulation Study on Factor Xa
Author
Abel R.
Berman H. M.
+53 more
Borensztajn K.
Bottoms C. A.
Bounameaux H.
Bradbook G. M.
Brooks C. L.
Caldwell R. A.
Carugo O.
Cruz A.
Daura X.
Davie E. W.
Doan B. T.
Edsall J. T.
Fenimore P. W.
Fraternali F.
Freddolino P.
Golbraikh A.
Griffon N.
Guvench O.
Hauptmann J.
Hedstrom L.
Hertzberg M.
Hornak V.
Ieko M.
Kaiser B.
Klepeis J. L.
Labute P.
Lesk A. M.
Lu Y.
Maragakis P.
Maxwell M. K.
McVey J. H.
Meyer E.
Mustata G.
Nar H.
Nazare M.
Nilsson M.
Ostrovsky D.
Panigrahi S. K.
Perez A.
Rao M. S.
Reichmann D.
Romo T. D.
Shokhen M.
Silva J.
Singh N.
Sreenivasan U.
Stubbs M. T.
Tidwell R. R.
Underwood M. C.
Venkateswarlu D.
Verdonk M. L.
Wang Y.
Warshel A.
Publication venue
'American Chemical Society (ACS)'
Publication date
Field of study
No full text
Crossref
Quantum Mechanics-Based Scoring Rationalizes the Irreversible Inactivation of Parasitic Schistosoma mansoni
Author
Adéla Jílková
Ahlrichs R.
+84 more
Baici A.
Bayly C. I.
Bieth J.G.
Bitzek E.
Brahmkshatriya P.
Brinen L. S.
Caffrey C. R.
Case D. A.
Chen Y. T.
Ciancetta A.
Correnti J. M.
Dapprich S.
De Cesco S.
Dobeš P.
Dobeš P.
Ehrlich S.
Fanfrlík J.
Frisch M. J.
Grimme S.
Hayik S. A.
Helten H.
Horn M.
Horn M.
Ishchenko A. V.
Jan Řezáč
Jindřich Fanfrlík
Jurečka P.
Jílková A.
Kamel K.
Kawamura S.
Kerr I. D.
Kerr I. D.
Kisselev A. F.
Klamt A.
Kolář M.
Kolář M.
Lepšík M.
Marenich A. V.
Martin Horn
Martin Lepšík
Michael Mareš
Mikulskis P.
Mladenovic M.
Mladenovic M.
Mladenovic M.
Mladenovic M.
Mucs D.
Muddana H. S.
Nagy G.
Ouyang X.
Paasche A.
Pathik S Brahmkshatriya
Pavel Hobza
Pearlman D. A.
Pecina A.
Peters M. B.
Pettersen E. F.
Potashman M. H.
Powers J. C.
Raha K.
Raha K.
Raha K.
Roush W. R.
Sadiq S. K.
Sajid M.
Senn H. M.
Shokhen M.
Siegbahn P. E. M.
Singh J.
Smith A. J.
Stewart J. J. P.
Stewart J. J. P.
Stigliani J. L.
Svensson M.
Söderhjelm P.
Traube T.
van Duin A. C. T.
Vicik V.
Wang J.
Wang W.
Zhou H.-X.
Řezáč J.
Řezáč J.
Řezáč J.
Publication venue
'American Chemical Society (ACS)'
Publication date
Field of study
No full text
Crossref
Secretory Phospholipase A(2) Activity toward Diverse Substrates
Author
Aarsman A. J.
Abe T.
+101 more
Abe T.
Altschul S. F.
Andersen S.
Andresen T. L.
Andresen T. L.
Arun K. Subramanian
Bahnson B. J.
Bash P. A.
Berg O. G.
Bernstein F. C.
Blow D. M.
Bonventre J. V.
Burton N. A.
Canaan S.
Chen Y.
Christensen M. S.
Darden T.
Davidsen J.
Degousee N.
Dennis E. A.
Dessen A.
Diaz B. L.
Dupureur C. M.
Dupureur C. M.
Dupureur C. M.
Edhemovic I.
Essmann U.
Feierberg I.
Feller S. E.
Gadd M. E.
Garcia A. E.
Glaser F.
Glomset J. A.
Green J. A.
Günther H. Peters
Han S. K.
Hanada K.
Hansford K. A.
Humphrey W.
Ilsley J. N. M.
Jain M. K.
Janssen M. J.
Jesper J. Madsen
Jiang J.
Jorgensen W. L.
Kale L.
Kim Y. J.
Kiyohara H.
Kramer R. M.
Kudo I.
Kudo I.
Kumar A.
Landau M.
Lars Linderoth
Leidy C.
Leidy C.
Leidy C.
Linderoth L.
Linderoth L.
Linderoth L.
Linderoth L.
Liu X.
Mayrose I.
Mihelich E. D.
Mouritsen O. G.
Mouritsen O. G.
Murakami M.
Murakami M.
Pan Y. H.
Pedersen P. J.
Peters G. H.
Peters G. H.
Peters G. H.
Peters G. H.
Pickard R. T.
Poi M. J.
Rothlisberger U.
Scott D. L.
Scott D. L.
Scott D. L.
Scott D. L.
Scott D. L.
Sekar K.
Shokhen M.
Singer A. G.
Singh U. C.
Six D. A.
Styles L. A.
Sved P.
Tatulian S. A.
Thomas L. Andresen
Vadas P.
Valentin E.
Villa J.
Warshel A.
White S. P.
Wolbink G. J.
Yamashita S.
Yu B.-Z.
Yuan C.
Åqvist J.
Publication venue
'American Chemical Society (ACS)'
Publication date
01/01/2011
Field of study
No full text
Crossref
Online Research Database In Technology
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