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10 research outputs found
Discovery and characterization of novel small-molecule CXCR4 receptor agonists and antagonists
Author
A Bodner
A Brelot
+38Â more
A Guyon
A Valenzuela-Fernandez
AN Jain
B Haribabu
B Wu
C Zhong
G Thoma
GJ Bridger
J Quoyer
J Roland
J Vabeno
JB Cross
JM Busillo
K Beider
L Qin
M Li
M Lu
M Urbano
MA Neves
MM Mysinger
MV Barbolina
N Zhou
O Meucci
P Vlieghe
PB Tran
PH Carter
R Skerlj
RS Wong
S Singh
S Tian
S Ueda
VI Perez-Nueno
VI Perez-Nueno
W-B Zhang
WT Choi
X Han
Y Feng
Z Liang
Publication venue
'Springer Science and Business Media LLC'
Publication date
Field of study
No full text
Crossref
Re-Docking Scheme for Generating Near-Native Protein Complexes by Assembling Residue Interaction Fingerprints
Author
A Kumar
A Tversky
+34Â more
AA Schaffer
AC Wllace
B Pierce
BG Pierce
C Chuaqui
CP Mpmhanga
Eugene A. Permyakov
G Marcou
GR Smith
HM Berman
J Mintseris
J Mintseris
J Singh
J Venhorst
JD Holliday
Masahito Ohue
MD Kelly
N Uchikoga
Nobuyuki Uchikoga
R Chen
R Chen
RK Nandigam
S Vajda
SF Altschul
SF Altschul
SR Hubbard
T Kawabata
T Sato
Takatsugu Hirokawa
VI Perez-Nueno
Yuri Matsuzaki
Yutaka Akiyama
Z Deng
Z Deng
Publication venue
'Public Library of Science (PLoS)'
Publication date
Field of study
No full text
Crossref
A novel interaction fingerprint derived from per atom score contributions: exhaustive evaluation of interaction fingerprint performance in docking based virtual screening
Author
A Nurisso
A Urzhumtsev
+39Â more
AN Jain
B Turk
C Chuaqui
C Da
CP Mpamhanga
D Rogers
D Rognan
DB Kitchen
E Anagnostou
E Lionta
EF Pettersen
G Carta
G Jones
G Marcou
G Neudert
G Schneider
HM Berman
IA Guedes
J Desaphy
J Venhorst
JB Cross
Julia B. Jasper
Lina Humbeck
M Mohammadi
M Schapira
MD Kelly
MJ Hartshorn
N Huang
O Korb
Oliver Koch
R Thomsen
RK Nandigam
SY Huang
T Schäfer
Tobias Brinkjost
VI Perez-Nueno
Y Hu
Y Li
Z Deng
Publication venue
'Springer Science and Business Media LLC'
Publication date
Field of study
No full text
Crossref
Connecting Neuronal Cell Protective Pathways and Drug Combinations in a Huntington’s Disease Model through the Application of Quantitative Systems Pharmacology
Author
A Chakravarti
A Gough
+46Â more
A Gough
AH Gough
AJ Murray
AM Stern
AS Tsvetkov
B Lu
BK Wagner
C Bliss
C Zuccato
CA Martz
CT Supuran
D Pamies
DB Kell
DI Morris
EB Clabough
F Trettel
G Kroemer
G Poch
GS Baillie
H Yano
J Inglese
JA Barone
JT Lin
L Rinaldi
LM DiPilato
M Chen
M Schenone
MC Cobanoglu
MC Cobanoglu
MD Allen
MH Wright
N Myeku
PC Hawkins
R Huang
SP Davies
T Chijiwa
TC Chou
TC Chou
U Rix
V Sample
VI Perez-Nueno
VO Ona
W Zhao
WR Greco
X Wang
X Wang
Publication venue
'Springer Science and Business Media LLC'
Publication date
Field of study
No full text
Crossref
Proteochemometric Modeling of the Bioactivity Spectra of HIV-1 Protease Inhibitors by Introducing Protein-Ligand Interaction Fingerprint
Author
A Jamloki
AK Ghosh
+63Â more
AM Namba
AMJ Wensing
AR Leach
CA Sotriffer
CW Dieffenbach
D Huang
D Isa
DB Kitchen
E Cichero
E Perola
F Clavel
FL Stahura
G De Martino
GJP van Westen
GL Warren
H Kang
H Strombergsson
H Strombergsson
H Strömbergsson
Haixiao Jin
Hong Kang
IH Witten
J Cohen
J Xu
JMJ Swanson
K Yoshimura
KR Muller
L Doyon
L Gupta
Luis Menéndez-Arias
M Junaid
M Lapins
M Lapins
M Lapins
M Lapinsh
M Lapinsh
M Sandberg
N Moitessier
P Kar
P Kar
P Labute
PJ Ala
PR Jayatilleke
Q Liu
Q Liu
Qi Huang
Qi Liu
Qiong Wu
R Hu
R Ragno
R Ragno
R Zhu
RR Wang
Ruixin Zhu
S Muzammil
T Sato
VI Perez-Nueno
VK Vays
XJ Yao
YF Cai
Z Deng
Z Liangpei
Zhiwei Cao
Publication venue
'Public Library of Science (PLoS)'
Publication date
Field of study
No full text
Crossref
Enhance the performance of current scoring functions with the aid of 3D protein-ligand interaction fingerprints
Author
A Anighoro
A Anighoro
+66Â more
AR Leach
BK Shoichet
C Bron
C Da
C McInnes
CP Mpamhanga
DB Kitchen
G Jones
G Marcou
H Attias
HFG Velec
HJ Böhm
HJ Wu
HX Zhou
I Antes
I Muegge
J Desaphy
J Liu
J Venhorst
JF Kenney
Jie Li
Jie Liu
K Kasahara
L Peltason
L Tan
M Baroni
M Coincon
M McGann
M Xue
MD Kelly
MHJ Seifert
MHJ Seifert
Minyi Su
MK Gilson
MK Gilson
N Brooijmans
O Korb
P Kollman
P Pfeffer
P Willett
PA Greenidge
PA Kollman
R Rajamani
R Teramoto
R Teramoto
R Teramoto
R Wang
Renxiao Wang
S Avram
SC Brewerton
SZ Grinter
T Cheng
T Cheng
T Sato
T Schulz-Gasch
VI Perez-Nueno
VV Rantanen
WP Walters
WTM Mooij
Y Huang
Y Li
Yan Li
Z Deng
Z Liu
Z Wang
Zhihai Liu
Publication venue
'Springer Science and Business Media LLC'
Publication date
Field of study
No full text
Crossref
PyBioMed: a python library for various molecular representations of chemicals, proteins and DNAs and their interactions
Author
A Speck-Planche
A Varnek
+64Â more
A-L Barabasi
A-L Barabási
Ai-Ping Lu
Alex F. Chen
B Liu
C Steinbeck
CR Garcia-Jacas
CW Yap
D Cao
D-S Cao
D-S Cao
D-S Cao
D-S Cao
D-S Cao
D-S Cao
D-S Cao
D-S Cao
D-S Cao
D-S Cao
Dong-Sheng Cao
DS Cao
F Napolitano
Feijun Luo
H Ding
H Geppert
H Luo
I Cortes-Ciriano
I Dubchak
J Cheng
J Dong
J Dong
J Dong
J Dong
J Mestres
J Shen
J Wang
J-H Huang
Jie Dong
JR Valdes-Martini
K-C Chou
K-C Chou
Lin Zhang
N O’Boyle
N Xiao
N-N Wang
N-N Wang
NN Wang
O Spjuth
P Willett
Qinlu Lin
R Todeschini
RCG Holland
S Agarwal
S Wang
S-H Guo
SJ Barigye
T Kuhn
VG Maltarollo
VI Perez-Nueno
W Chen
Y Cao
YB Ruiz-Blanco
Z Yao
Zhi-Jiang Yao
Publication venue
'Springer Science and Business Media LLC'
Publication date
Field of study
No full text
Crossref
ChemSAR: an online pipelining platform for molecular SAR modeling
Author
A Gaulton
A Liaw
+78Â more
A Roncaglioni
A Speck-Planche
A Speck-Planche
A Tropsha
A Tropsha
A Varnek
A Zeileis
Ai-Ping Lu
AL Hopkins
Alex F. Chen
B Hardy
B Mevik
Ben Lu
C Chang
C Ginestet
C Knox
C Steinbeck
CW Yap
D Cao
D Cao
D Cao
D Cao
D Cao
D Cao
D Cao
DB Oliveira de
Dong-Sheng Cao
DS Murrell
E Pauwels
F Napolitano
F Pedregosa
G Tsiliki
H Ding
H Geppert
Hongyu Miao
I Cortes-Ciriano
I Guyon
I Sushko
IV Tetko
IV Tetko
IV Tetko
J Cheng
J Dong
J Dong
J Wang
JC Gertrudes
JC Stalring
JD Hunter
Jie Dong
JR Quinlan
L Breiman
L Chen
L Zhang
M Ashton
M Kuhn
M Pontil
Min-Feng Zhu
N Wang
Ning-Ning Wang
NM O’Boyle
NM O’Boyle
P Carrio
P Gramatica
P Hai
PT Hai
RF Murphy
S Agarwal
S Weaver
SJ Capuzzi
SL Kinnings
T Walker
VG Maltarollo
VI Perez-Nueno
Wen-Bin Zeng
Y Wang
Y Yamanishi
Z Yao
Zhi-Jiang Yao
Publication venue
'Springer Science and Business Media LLC'
Publication date
Field of study
No full text
Crossref
Role of 3D Structures in Understanding, Predicting, and Designing Molecular Interactions in the Chemokine Receptor Family
Author
A Brelot
A Chevigne
+198Â more
A Jain
A Manglik
A Viola
A Wood
AA Thompson
AC Kruse
AJ Bordner
AJ Vila-Coro
AS Karaboga
B Brooks
B Debnath
B Lagane
B Wu
BK Kramp
C Seibert
C Tudan
C Watson
C Zhang
C-Y Chou
C-Z Dong
CC Bleul
CD Paavola
CG Gadhe
CL Salanga
CT Veldkamp
D Casciari
D Huang
D Sohy
D Sohy
D Unutmaz
DJ Scholten
DJ Scholten
DP Kennedy
DR Weiss
E Clercq De
E Inokuchi
E Kellenberger
EA Berger
EK Gozansky
EK Ryu
F Tama
FM McRobb
FS Monteclaro
FS Monteclaro
G Fenalti
G Gonnet
G Kothandan
G Lebon
G Milligan
G Milligan
G Sliwoski
G Thoma
GM Morris
H Fan
H Issafras
H Wu
I Kufareva
I Kufareva
I Kufareva
J Carlsson
J Carlsson
J Garcia-Perez
J Huang
J Kim
J Labrecque
J Lemay
J Li
J Liu
J Mungalpara
J Mungalpara
J Pease
J Våbenø
J Våbenø
J Wang
J-W Liou
J-Y Springael
JA Christopher
JA Hern
JA Salon
JC Tilton
JE Harrison
JF White
JHY Tan
JJ Ziarek
JM Johnston
JM Planesas
JM Strizki
JR Lane
JW Murphy
K Bozek
K Kobayashi
K Maeda
K Maeda
K Rajarathnam
K-YM Chen
KA Jacobson
L Rajagopalan
L Roumen
L Vangelista
L Xu
L Zhu
LO Gerlach
M Congreve
M Connolly
M Lefrançois
M Masso
M Masso
M McGann
M Metz
M Montes
M Murakami
M Nobles
M Rueda
M Song
M Steinberg
M Szpakowska
MJM Niesen
ML Verdonk
MM Mysinger
MM Rosenkilde
MP Crump
N Fujii
N Zhou
N Zhou
O Demmer
O Trott
P Colin
P Dorr
P Hernanz-Falcon
P Kolb
P Kruijf de
P Loetscher
P Loetscher
PE Boulais
PE Finke
PJ Koelink
Q Tan
R Abagyan
R Berro
R Berro
R Clark
R Horuk
R Kumar
R Moukhametzianov
R Nedellec
RA Abagyan
RA Friesner
RC Stevens
RL Contento
RM Bill
RSY Wong
S Bhattacharya
S Granier
S Hayward
S Horster
S Kim
S Lee
S Oishi
S Thiele
S Tian
S Zoffmann
SE Dobbins
SJ Allen
SP Kawatkar
T Hino
T Lengauer
T Warne
TL Aboye
V Cherezov
V Katritch
V Katritch
V Katritch
V Katritch
V Nardese
V Saini
V Saini
V Saini
V Vinader
VI Perez-Nueno
VI Perez-Nueno
VM Muniz-Medina
VM Truax
W Kazmierski
W Zhan
W-T Choi
W-T Choi
X Huang
X Periole
Y Kofuku
Y Liu
Y Ohnishi
Y Okuno
Y Percherancier
Y Wu
Y Xu
Y Yoshikawa
Z Liang
Z Luo
Publication venue
'Springer Science and Business Media LLC'
Publication date
Field of study
No full text
Crossref
Predicting targets of compounds against neurological diseases using cheminformatic methodology
Author
A Anighoro
A Bender
+94Â more
A Cavalli
A Gaulton
A Hamacher
A Patat
A Samadi
A Stosel
A Tropsha
AV Terry Jr
B Ballanger
B Garduno-Torres
B Reisberg
BL Roth
BL Roth
BW Matthews
C Knox
CF Froese Fischer
Danica Agbaba
DJ Rogers
E Lounkine
E Parzen
EO Cannon
EO Cannon
EO Cannon
F Nigsch
F Nigsch
G Giovanni Di
G Petroianu
G Quesseveur
G Scatchard
H Dai
H Onogi
Holger Stark
HS Kim
HY Meltzer
I Bolea
Ilaria Rossi
J Apelt
J Apelt
J Marco-Contelles
JA Gray
JJ Jiménez
JL Cummings
JL Herndon
John B. O. Mitchell
José Marco-Contelles
JR Schlegel
K Sander
Katarina Nikolic
L Fang
L Fang
L Mavridis
L Mavridis
Lazaros Mavridis
LE Schechter
M Carlsson
M Goedert
M Humbert-Claude
M Nakamura
M Rosenblatt
M Rosini
MA Rogawski
Maria do Carmo Carreiras
MBH Youdim
MC Buhot
MJ Gemkow
MJ Keiser
MJ Millan
MJ Millan
MJ Millan
N Pitsikas
O Nakagawasai
OM Bautista-Aguileraa
Oscar M. Bautista-Aguilera
Paola Massarelli
R LeĂłn
R Morphy
R Raddatz
RC Glen
Rona R. Ramsay
S Grassmann
S Grassmann
S Niijima
S Threlfell
T Tahtouh
TA Esbenshade
TL Wallace
TV Lipina
TV Lipina
V Matteo Di
V PĂ©rez
VG Paolini
VI Perez-Nueno
X Ligneau
YC Cheng
Publication venue
'Springer Science and Business Media LLC'
Publication date
Field of study
No full text
Crossref