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6 research outputs found
Computerized techniques pave the way for drug-drug interaction prediction and interpretation
Author
Agrawal A
Glem RC
+11 more
Hirschman L
Krahenbuhl-Melcher A
Kuhlmann J
Magnus D
Mason O
McMullin ST
Moura CS
Nemeroff CB
Omidi Y
Palleria C
van Roon EN
Publication venue
'International Society for Phytocosmetic Sciences'
Publication date
Field of study
No full text
Crossref
Combining structural and bioactivity-based fingerprints improves prediction performance and scaffold hopping capability
Author
A Cortes Cabrera
AF Fliri
+26 more
AM Wassermann
AM Wassermann
AM Wassermann
BJ Battersby
D Muthas
F Pedregosa
Hongming Chen
J Simm
JN Weinstein
Jürgen Bajorath
KD Paull
KY Helal
LM Kauvar
LM Mayr
M Campillos
N Sturm
Noé Sturm
Ola Engkvist
Oliver Laufkötter
PM Petrone
PS Karnachi
RC Glem
S Avram
S Paricharak
S Riniker
Y Wu
Publication venue
'Springer Science and Business Media LLC'
Publication date
Field of study
No full text
Crossref
Systemic neurotransmitter responses to clinically approved and experimental neuropsychiatric drugs
Author
A Anighoro
A Koutsoukas
+58 more
A Koutsoukas
AS Darvesh
BN Armbruster
D Amato
D Bajusz
D Hermann
D Rogers
DL Liao
DS Baldwin
DS Wishart
E Kubinyi
F Artigas
F Pedregosa
G Drakakis
G Perna
GW Lin
HR Noori
HR Noori
I Boileau
I Brand
J Besnard
J Nabekura
J Zohar
JA Miller
JJ Irwin
K Komossa
K Takase
KR Pugh
L Fagerberg
LH Mervin
LH Mervin
LP McLean
M Kanehisa
M Kuhn
M Maj
M Oh
M Purgato
M Uhlén
MM Yartsev
N Hirth
ND Volkow
R Morphy
R Steuer
Ramón Cacabelos
RB Mailman
RC Glem
RJ Anney
S Fliegel
S Fritze
S Garattini
S Gupta
S Kim
SA Castner
T Insel
T Kushikata
TR Insel
VI Chefer
Z Feng
Publication venue
'Springer Science and Business Media LLC'
Publication date
Field of study
No full text
Crossref
Identification of binding sites and favorable ligand binding moieties by virtual screening and self-organizing map analysis
Author
A Bender
AC Cheng
+77 more
AL Bowman
Arnaud Blondel
AT Laurie
B Huang
B Lee
BD Bursulaya
C-H Ngan
D Digles
D Ghersi
D Ghersi
D Plewczynski
D Reker
D Rogers
DG Levitt
EF Pettersen
Emna Harigua-Souiai
F Pedregosa
G Bouvier
G Bouvier
G López
G Schwarz
GJP van Westen
GL Warren
GM Morris
GM Morris
Guillaume Bouvier
I Cortes-Ciriano
I Mayrose
ID Kuntz
Ikram Guizani
Isidro Cortes-Ciriano
J An
J Dundas
J Liang
J Ruppert
JA Capra
JA Capra
JD Bauman
K Hasegawa
KL Meagher
L Miri
LN Johnson
M Congreve
M Hendlich
M Nivaskumar
Michael Nilges
ML Mitchell
MM Mysinger
N Desdouits
N Huang
N Moitessier
Nathan Desdouits
O Roche
O Trott
PJ Goodford
R Brenke
R Harris
RA Laskowski
RA Laskowski
RC Glem
S Dennis
S Glinca
S Mahony
S Mahony
S Soga
SF Sousa
SG Sarafianos
SW Cowan-Jacob
T Kawabata
T Kohonen
T Kortvelyesi
T Schindler
TA Halgren
Thérèse E Malliavin
TJ Ewing
W Yu
YG Spill
Publication venue
'Springer Science and Business Media LLC'
Publication date
Field of study
No full text
Crossref
Prediction of the potency of mammalian cyclooxygenase inhibitors with ensemble proteochemometric modeling
Author
A Ben-Hur
A Gaulton
+83 more
A Golbraikh
A Tropsha
A Tropsha
AL Blobaum
Andreas Bender
B Efron
BC Moore
BM Spowage
C Kramer
C Kramer
C Luo
C Sostres
CK Lau
CW Yap
D Marbach
D Rogers
Daniel S Murrell
DJ Hermanson
DJ Wood
DM Hawkins
F Sievers
FA Kruger
G Dannhardt
G Dannhardt
G Marcou
G Rimon
Gerard JP van Westen
GJP van Westen
GJP van Westen
GJP van Westen
GJP van Westen
GK Gupta
H Dragos
HJ Kim
HM Berman
I Cortes Ciriano
IK Khanna
Isidro Cortes-Ciriano
J Brown
J Klekota
JH Friedman
JP Shaffer
JR Vane
JW Soh
JY Jouzeau
L Breiman
L Chen
L Rosenbaum
LG Howes
LI Lin
LJ Crofford
M Fine
M Kuhn
M Kuhn
M Lapinsh
M Sandberg
M Scholz
MJ Thun
NA Nussmeier
P Robak
PG Polishchuk
R Clark
R Jones
RC Glem
RN Reddy
RP Sheridan
RP Sheridan
RS Bresalier
RV Curiel
RV Frolov
S Hayashi
S Zhang
SP Brown
T Kalliokoski
T Narsinghani
TD Warner
Thérèse E Malliavin
TJ Steichen
WL Xie
WW Wilkerson
WW Wilkerson
X de Leval
Y Yu
Publication venue
'Springer Science and Business Media LLC'
Publication date
Field of study
No full text
Crossref
Towards the mode of action of Strobilanthes crispus through integrated computational and experimental analyses
Author
A Alves-Rodrigues
A Gaulton
+79 more
A Koutsoukas
A Lagunin
A Lavecchia
A Matsumoto
A Pedretti
AB Awad
AH Eliassen
AJ Chucair
B Gutendorf
B Li
B Lomenick
BP Chew
C DeSantis
CM Schauder
D Aune
D Bonofiglio
D Bonofiglio
D Reker
DD Muccio
E Lounkine
F Mohd Fauzi
F Pedregosa
F Zsila
G Moeller
H Newill
H Nurraihana
H Yang
I Ikeda
J Achenbach
J Brtko
J O’Shaughnessy
J Plat
J Suherman
JC Phillips
JD Maia
JS Park
K Higashi-Okai
K Suino
KW Ng
L Wang
L Yin
LH Mervin
LJ Boerma
LM Rapp
LY Geer
M Golshan
M Lindeblad
MJ Keiser
MM Rafi
MP Horvath
N Al-Henhena
NS Yaacob
NS Yaacob
NS Yaacob
NS Yaacob
O Korb
P Bhosale
P Lefebvre
P Papageorgis
PG Bradford
PS Bernstein
PS Bernstein
R Reynoso-Camacho
R Sawada
RC Glem
RK Selvaraj
S Deng
S Granados-Principal
S Huyghe
SA Glynn
SZ Mohamad Zobir
T Sayo
T Tanaka
TZ Tan
VN Sumantran
VR Atigadda
X Zhang
Y Wang
Z Wang
Publication venue
'Springer Science and Business Media LLC'
Publication date
Field of study
No full text
Crossref