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4 research outputs found
Integration of Automated Workflow in Chemoinformatics for Drug Discovery
Author
A Zanzoni
AE Todd
+22Â more
AWE Chan
Daniel Gaston
E Eckers
F Klepsch
HM Berman
I Xenarios
J B Dunbar
K Ovaska
KY Hwang
L Tan
M Karthikeyan
M Karthikeyan
M Weisel
MA Kallio
ME Aranguren
MP Mazanetz
RK Nandigam
T Ewing
T Kuhn
T Oinn
WA Warr
Z Deng
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
Orphan receptor ligand discovery by pickpocketing pharmacological neighbors
Author
AJ Venkatakrishnan
Alastair G Stewart
+55Â more
Andrey V Ilatovskiy
AP Bento
AP Davenport
C Liu
C Southern
D Marazziti
DE Gloriam
DJ Scholten
E Jacoby
E Paradis
E van der Horst
Fiona M McRobb
FM McRobb
G Marcou
GH Gonnet
H Lin
HB Schiöth
I Kufareva
I Kufareva
I Kufareva
Irina Kufareva
James L J Coleman
JL Coleman
JR Tagat
JS Surgand
KD Min
L Jenkins
M Rezgaoui
M Thelen
ME Modi
MF Sassano
MJ Keiser
N Leng
Nicola J Smith
NJ Smith
O Civelli
O Valdenaire
R Abagyan
R Fredriksson
R Peter Riek
RE Martin
RK Nandigam
Robert M Graham
RR Sokal
Ruben Abagyan
SP Alexander
T Ngo
T Ngo
Tony Ngo
V Isberg
V Isberg
W Guba
W Shihoya
WK Kroeze
XP Huang
Publication venue
'Springer Science and Business Media LLC'
Publication date
Field of study
No full text
Crossref