CORE
🇺🇦
make metadata, not war
Services
Services overview
Explore all CORE services
Access to raw data
API
Dataset
FastSync
Content discovery
Recommender
Discovery
OAI identifiers
OAI Resolver
Managing content
Dashboard
Bespoke contracts
Consultancy services
Support us
Support us
Membership
Sponsorship
Community governance
Advisory Board
Board of supporters
Research network
About
About us
Our mission
Team
Blog
FAQs
Contact us
Filters
36 research outputs found
A two-step target binding and selectivity support vector machines approach for virtual screening of dopamine receptor subtype-selective ligands
Author
A Bender
A Givehchi
+79 more
A Monge
A Talevi
A Zhang
Arto Urtti
Bucong Han
BW Matthews
C Enguehard–Gueiffier
C Singer
C Zeng
CA Heidbreder
Chunyan Tan
CW Yap
D Erhan
D Huber
DG Sprous
DI Cho
DR Sibley
EY Chien
F Boeckler
F Micheli
G Aloisi
G Tsoumakas
G Tsoumakas
H Dragos
H Li
H Sun
HJ Verheij
I Salama
J Bostrom
J Overington
J Zhang
JD Durrant
Jingxian Zhang
JJ Irwin
JR Quinlan
K Audouze
K Ehrlich
L Carro
L Herm
L Lopez
L Michielan
L Schietgat
LJ Bellis
LY Han
M Albersen
M Pilla
M-L Zhang
MJ Wester
MM Simpson
MWB Trotter
MY Cha
N Huang
NK Mishra
P Jenner
P Mahe
P Willett
P Willett
Q Wang
R Burbidge
R Czerminski
R Kohavi
RA Johnson
RB McCall
RD Clark
S Lober
S Lober
S Renner
T Sato
VN Vapnik
XH Liu
XH Ma
XH Ma
Xiaona Wei
Y Wang
Y Xue
Yuyang Jiang
Yuzong Chen
Z Shi
ZR Li
Publication venue
'Public Library of Science (PLoS)'
Publication date
15/06/2012
Field of study
Get PDF
10.1371/journal.pone.0039076PLoS ONE76
Public Library of Science (PLOS)
Crossref
Directory of Open Access Journals
PubMed Central
ScholarBank@NUS
FigShare
Accurate Description of Nitrogenous Base Flexibility in Classical Molecular Dynamics Simulations of Nucleotides Bound to Proteins
Author
Boatz J. A.
Carloni P.
+38 more
Cheatham T. E.
Cheatham T. E.
Cheatham T. E.
Cheatham T. E. III.
Cornell W. D.
Darden T.
Degano M.
Degano M.
Deng H.
Dwivedi A. M.
Estrin D. A.
Florián J.
Foloppe N.
Giabbai B.
Gopaul D. N.
Hamelberg D.
Hertwig R. H.
Lifson S.
MacKerell A. D.
Mannfors B.
Muzzolini L.
Palmo K.
Press W. H.
Pérez A.
Qian W.
Schmidt M. W.
Sorin E. J.
Sprous D.
Sprous D.
Stephens P. J.
Szczesniak M.
Szczesniak M.
van der Spoel D.
Wang J.
Wilson D. K.
Xiang S.
Špačková N.
Šponer J.
Publication venue
'American Chemical Society (ACS)'
Publication date
Field of study
No full text
Crossref
Effect of the Crystallizing Agent 2-Methyl-2,4-pentanediol on the Structure of Adenine Tract DNA in Solution
Author
Abbreviations
Burkhoff A. M.
+14 more
Burkhoff A. M.
Dickerson R. E.
DiGabriele A. D.
Dlakic M.
Hagerman P. J.
Hagerman P. J.
Harvey S. C.
Kintanar A.
Koo H.-S.
Liepinsh E.
Price M. A.
Sprous D.
Timasheff S. N.
Ulanovsky L. E.
Publication venue
'American Chemical Society (ACS)'
Publication date
Field of study
No full text
Crossref
An efficient piecewise linear model for predicting activity of caspase-3 inhibitors
Author
A Foroumadi
D Lokwani
+14 more
DG Sprous
M Shahlaei
MV Butz
MV Butz
PA Devijver
PJ Rousseeuw
PL Lanzi
R Todeschini
S Sharma
SW Wilson
SW Wilson
T Liu
TJ Fan
V Ravichandran
Publication venue
'Springer Science and Business Media LLC'
Publication date
Field of study
No full text
Crossref
Free Energy Analysis of the Conformational Preferences of A and B Forms of DNA in Solution
Author
Alden C. J.
Berman H. M.
+25 more
Beveridge D.
Beveridge D. L.
Beveridge D. L.
Cheatham T. E.
Cornell W. D.
Darden T.
Dickerson R. E.
Feig M.
Franklin R. E.
Friedman H. L.
Hasted J.
Hawkins G. D.
Ivanov V. I.
Ivanov V. I.
Jayaram B.
Karplus M.
Krestov G. A.
Lane A.
MacKerell A. D. J.
Pearlman D. A.
Saenger W.
Saenger W.
Sprous D.
Still W. C.
Young M. A.
Publication venue
'American Chemical Society (ACS)'
Publication date
Field of study
No full text
Crossref
Chemical Domain of QSAR Models from Atom-Centered Fragments
Author
Abraham M. H.
Adamson G. W.
+20 more
Casalegno M.
Dimitrov S.
Dimitrov S. D.
Dragos H.
Jaworska J.
Kühne R.
Kühne R.
Kühne R.
Kühne R.
Mekenyan O.
Netzeva T. I.
Netzeva T. I.
Patlewicz G.
Schüürmann G.
Sprous D. G.
Tetko I. V.
Tetko I. V.
Von der Ohe P. C.
Wang Y.
Weaver S.
Publication venue
'American Chemical Society (ACS)'
Publication date
Field of study
No full text
Crossref
eCounterscreening: Using QSAR Predictions to Prioritize Testing for Off-Target Activities and Setting the Balance between Benefit and Risk
Author
Bertz R. J.
Carhart R. E.
+20 more
Daniel R. McMasters
De Ponti F.
Ekins S.
Elkins R. C.
Guengerich F. P.
Handschin C.
Johannes H. Voigt
Kearsley S. K.
Mary Jo Wildey
Michielan L.
Robert P. Sheridan
Sanguinetti M. C.
Segall M. D.
Sheridan R. P.
Sheridan R. P.
Sprous D. G.
Svetnik V.
Waxman D. J.
Zhou S.
Zhou S.-F.
Publication venue
'American Chemical Society (ACS)'
Publication date
Field of study
No full text
Crossref
A Model for Simulating Dynamics of DNA Denaturation
Author
Allen M. P.
Beveridge D. L.
+28 more
Breslauer K. J.
Campa A.
Chalikian T. V.
Chalikian T. V.
Chen Y. Z.
Choo Y.
Drukker K.
Fixman M.
Gil Montoro J. C.
Gil Montoro J. C.
Jelesarov I.
Jian H.
Kollman P.
Konerding D. E.
Korolev N.
Lazarides A. A.
Marko J. F.
Martino J. A.
Mirkin C. A.
Olmsted M. C.
Owczarzr R.
Poland D.
Sprous D.
Steger G.
Storhoff J. J.
Sugimoto N.
Young M. A.
Zhang F.
Publication venue
'American Chemical Society (ACS)'
Publication date
Field of study
No full text
Crossref
QSAR Models for Predicting the Similarity in Binding Profiles for Pairs of Protein Kinases and the Variation of Models between Experimental Data Sets
Author
Abagayan R. A.
Aronov A. M.
+37 more
Aronov A. M.
Azam M.
Bain J.
Bamborough P.
Bonn S.
Chen J.
Cheney I. W.
Cherry M.
Cohen M. S.
Crooks G. E.
Debreczeni J. E.
Emrick M. A.
Fabian M. A.
Federov O.
Fitzgerald C. E.
Goldberg D. R.
Gozalbes R.
Graczyk P. P.
Hamdouchi C.
Heady L.
Karaman M. W.
Kinnings S. L.
Kothe M.
Manning G.
Melnick J. S.
Muegge I.
Myrianthopoulos V.
Pande V.
Rockey W. M.
Schneider T. D.
Sciabola S.
Sheinerman F. B.
Sprous D. G.
Sutherland J. J.
Svetnik V.
Vieth M.
Zahler S.
Publication venue
'American Chemical Society (ACS)'
Publication date
Field of study
No full text
Crossref
Statistical Thermodynamic Approach for Evaluating the Writhe Transformations in Circular DNAs
Author
Bauer W. R.
Benham C.
+33 more
Boffelli D.
Bracewell
Calagareanu G.
Chirico G.
Crick F. H. C.
De Santis P.
De Santis P.
De Santis P.
De Santis P.
Fuller F. B.
Gebe J. A.
Gralla J. D.
Hao M. H.
Kahn J. D.
Klenin K. V.
Koo H. S.
Laundon C. H.
Le Bret M.
Le Bret M.
Levene S. D.
Lobel R. B.
Marko J. F.
Olson W. K.
Ptashne M.
Schlick T.
Schultz S. C.
Shimada J.
Spiegel M.
Sprous D.
Tan R. K. Z.
Vologodskii A. V.
Westcott T. P.
White J. H.
Publication venue
'American Chemical Society (ACS)'
Publication date
Field of study
No full text
Crossref
1
2
3
4