CORE
🇺🇦Â
 make metadata, not war
Services
Research
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
6 research outputs found
Identification of novel PTPRQ phosphatase inhibitors based on the virtual screening with docking simulations
Author
A Alonso
A Oganesian
+24Â more
BK Shoichet
Bo Yeon Kim
Bonsu Ku
CA Lipinski
GA Jeffrey
GL Warren
GM Morris
H Choi
H Jung
H Park
H Park
H Shahin
Hwangseo Park
J Gasteiger
Keum Ran Yu
KR Yu
M Schraders
M Zhang
NK Tonks
P Heneberg
PFW Stouten
RA Seifert
RJ Goodyear
Seung Jun Kim
Publication venue
'Springer Science and Business Media LLC'
Publication date
Field of study
Get PDF
Crossref
Topological, hydrophobicity, and other descriptors on α-glucosidase inhibition: a QSAR study on xanthone derivatives
Author
Alexander G
Andersson PM
+28Â more
Biye R
Cho DH
Erikkson L
Eun JS
Fischer PB
Gough JD
Hliang HM
Humphries MJ
Hwangseo P
Jarmo H
Joseph R
Jung-Hum P
Karthikeyan C
Kavitha B
Maria J. Ramos
Moorthy NSHN
Moorthy NSHN
N.S. Hari Narayana Moorthy
Pedro A. Fernandes
Prasanna S
Rawling AJ
Raymond AD
Rudd PM
Santiago V
Tropsha A
Wang S
Yan L
Yan L
Publication venue
'Informa UK Limited'
Publication date
Field of study
No full text
Crossref
Prediction of the relationship between the structural features of andrographolide derivatives and α-glucosidase inhibitory activity: A quantitative structure-activity relationship (QSAR) Study
Author
Alexander G
Balasubramanian N
+29Â more
Cho DH
Cruciani G
Cruciania G
Erikkson L
Erol E
Fischer PB
Gui FD
Humphries MJ
Hwangseo P
Iglika L
Jung-Hum P
Kameda Y
Karthikeyan C
Kavitha B
Maria J Ramos
NS Hari Narayana Moorthy
Ouzounov S
Papandreou MJ
Pedro A Fernandes
Petitjean M
Pili R
Prasanna S
Rawling AJ
Robinson KM
Shahapurkar S
Taylor DL
Tomich CH
Tropsha A
Van Den Broek LAGM
Publication venue
'Informa UK Limited'
Publication date
Field of study
No full text
Crossref
Consensus Scoring Approach To Identify the Inhibitors of AMP-Activated Protein Kinase α2 with Virtual Screening
Author
Böhm H. J.
Charifson P. S.
+32Â more
Choi H.
Gasteiger J.
Gasteiger J.
Handa N.
Hardie D. G.
Huang S. Y.
Hwangseo Park
Jae-Won Eom
Jeffrey G. A.
Kitchen D. B.
Kukol A.
Li J.
Li J.
Lipinski C. A.
Littler D. R.
Liu S.
Marsden P. M.
Mehler E. L.
Morris G. M.
Park H.
Park H.
Park H.
Ramamurthy S.
Rarey M.
Shoichet B. K.
Stouten P. F. W.
Viollet B.
Warren G. L.
Xiao B.
Xiao B.
Yang-Hee Kim
Zhou G.
Publication venue
'American Chemical Society (ACS)'
Publication date
Field of study
No full text
Crossref
New solvation free energy function comprising intermolecular solvation and intramolecular self-solvation terms
Author
A Klamt
A Nicholls
+48Â more
AS Paluch
AV Marenich
AV Marenich
AV Marenich
CA Lipinski
CN Pace
CR Corbeil
D Eisenberg
D Frenkel
D Shivakumar
DA Case
DL Mobley
EL Mehler
F Colonna-Cesari
F Sterpone
G König
GA Jeffrey
H Kang
Hongsuk Kang
Hwangseo Park
Hwanho Choi
IM Chu
J Chang
J Chen
J Gasteiger
J Wang
JD Thompson
JW Pitera
L Bernazzani
L Onsager
M Almlöf
M Gupta
MK Gilson
P Setny
PFW Stouten
PT Corbett
RD Boyer
RF Ribeiro
RL Baldwin
S Genheden
T Lazaridis
VM Anisimov
VP Sergiievskyi
VS Bernales
WC Wimley
WL Jorgensen
WL Jorgensen
X Zou
Publication venue
'Springer Science and Business Media LLC'
Publication date
Field of study
No full text
Crossref
Elaborate Ligand-Based Modeling Reveals New Nanomolar Heat Shock Protein 90α Inhibitors
Author
Abu Khalaf R.
Abu-Hammad A. M.
+62Â more
Al-masri I. M.
Al-Nadaf A.
Avila C.
Barril X.
Barril X.
Beeley
Bemis G. W.
Brough P. A.
Chen C. Y.-C.
Chiosis G.
Chiosis G.
Chiosis G.
Christopher A.
Clement O. O.
DePristo M. A.
Edwards C. R. W.
Fischer R.
Ganesh T.
Ganesh T.
Gao H.
Gopalsamy A.
Hideyuki O.
Howes R.
Hwangseo P.
Irwin J. J.
Jacobsson M.
Jeffrey R. H.
Kasibhatla S. R.
Kirchmair J.
Klebe G.
Krovat E. M.
Kurogi Y.
Lanzetta P. A.
Lipinski C. A.
Llauger L.
Mahmoud A. Al-Sha’er
Matsuda M. M.
McDonald E.
Mutasem O. Taha
Neckers L.
Neckers L.
Obermann W. M. J.
Prodromou C.
Ramsey L. F.
Richter K.
Rowlands M. G.
Sakkiah S.
Sheridan R. P.
Solit D. B.
Steuber H.
Stubbs M. T.
Taha M. O.
Taha M. O.
Taha M. O.
Taha M. O.
Triballeau N.
Van Drie J. H.
Veber D. F.
Venkatachalam C. M.
Verdonk M. L.
Wang M.
Xiao L.
Publication venue
'American Chemical Society (ACS)'
Publication date
Field of study
No full text
Crossref