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3 research outputs found
Optimal affinity ranking for automated virtual screening validated in prospective D3R grand challenges
Author
A Akwabi-Ameyaw
A Domling
+32Â more
Bentley M. Wingert
Carlos J. Camacho
D Koes
DB Kitchen
DJ Cole
DR Koes
DR Koes
DR Koes
E Harder
HGF Richter
HM Berman
IJ Enyedy
J Wang
M Kolář
M Misini Ignjatovic
MB van Niel
N Deng
NA Temiz
NA Temiz
NM O’boyle
O René
O Trott
P Tosco
PCD Hawkins
RA Friesner
RD Smith
RD Smith
Rick Oerlemans
S Gathiaka
TD Crawford
X Chen
Z Ye
Publication venue
'Springer Science and Business Media LLC'
Publication date
Field of study
No full text
Crossref
Investigation of Drug Interaction Potentials and Binding Modes on Direct Renin Inhibitors: A Computational Modeling Studies
Author
Bhattacherjee D.
Buczko W.
+33Â more
Calixto A.R.
Campbell D.
Desjarlais M.
Dixon S.L.
Friesner R.A.
Genheden S.
Gharaghani S.
Gupta M.K.
Holsworth D.D.
Karthikeyan Muthusamy
Kirubakaran P.
Lakshmanan Loganathan
Li Y.
Lipinski C.A.
Lorthiois E.
McMurray J.J.V.
Misini-Ignjatovic M.
Mori Y.
Nagamani S.
Nakamura Y.
Paulis L.
Politi A.
Pool J.L.
Prescrire R.
Roy K.
Saraceno B.
SchĂĽttelkopf A.W.
Selvaraman N.
Tani S.
van der Spoel D.
Wan J.
Webb R.L.
Wood J.M.
Publication venue
'Bentham Science Publishers Ltd.'
Publication date
Field of study
No full text
Crossref
Using physics-based pose predictions and free energy perturbation calculations to predict binding poses and relative binding affinities for FXR ligands in the D3R Grand Challenge 2
Author
A Akwabi-Ameyaw
A Akwabi-Ameyaw
+63Â more
AD Bochevarov
AJ Clark
ASJS Mey
AW Baggett
B Flatt
BL Tembre
CD Christ
CH Bennett
Christina Athanasiou
Dimitris Dellis
E Lionta
F Lovering
G Hummer
GM Sastry
GM Sastry
H Vlijmen van
HG Richter
HG Richter
J Singh
JT Lundquist
JW Kaus
JY Bass
KL Damm
KM Merz
L Jin
L Wang
L Wang
LX Dang
LZ Mi
M Downes
M Misini Ignjatovic
M Sastry
M Totrov
MA Kastenholz
MA Kastenholz
P Gkeka
P Kollman
PA Kollman
R Abel
R Farid
R Zhou
RA Friesner
RA Friesner
RM Knegtel
S Feng
S Gathiaka
S Liu
SL Dixon
SM Paul
SM Soisson
Sofia Vasilakaki
T Young
TA Halgren
W Sherman
W Sherman
WL Jorgensen
WL Jorgensen
WL Jorgensen
WL Jorgensen
X Xu
Y Cheng
Z Deng
Zoe Cournia
Publication venue
'Springer Science and Business Media LLC'
Publication date
Field of study
No full text
Crossref