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17 research outputs found
A three dimensional visualisation approach to protein heavy-atom structure reconstruction
Author
A Roy
AG Murzin
+46 more
Alireza Chenani
Antti J Niemi
EO Purisima
GN Murshudov
GN Ramachandran
H Schrauber
HA Scheraga
HM Berman
I Sillitoe
J Janin
JW Ponder
K Dill
K Hinsen
L Holm
LX Peterson
M Lundgren
M Lundgren
MA DePristo
MS Shapovalov
NS Alexander
O Carugo
P Rotkiewicz
PD Adams
PL Freddolino
R Chandrasekaran
RA Engh
RA Laskowski
RL Dunbrack Jr
RL Dunbrack Jr
S Hu
S Subramaniam
S Subramaniam
SC Lovell
SC Lovell
Shuangwei Hu
SM Islam
T Kirys
T Schwede
TA Jones
VB Chen
WG Touw
X Qu
Xubiao Peng
Y Li
Y Zhang
Yifan Zhou
Publication venue
'Springer Science and Business Media LLC'
Publication date
Field of study
Get PDF
Crossref
Predicting hydration free energies of polychlorinated aromatic compounds from the SAMPL-3 data set with FiSH and LIE models
Author
A Jakalian
A Jakalian
+35 more
C Tan
CJ Cramer
CJ Fennell
CJ Fennell
CJ Fennell
CR Corbeil
D Shivakumar
DA Case
DL Mobley
DL Mobley
DL Mobley
DS Cerutti
E Purisima
EL Ratkova
Enrico O. Purisima
EO Purisima
EO Purisima
EO Purisima
HA Carlson
I Chorny
J Chen
J Tomasi
J Wang
JS Cantrell
LT Cheng
M Almlof
P Klimovich
P Setny
R Baron
R Foundation for Statistical Computing
T Sulea
TA Halgren
TM Raschke
Traian Sulea
WL Jorgensen
Publication venue
'Springer Science and Business Media LLC'
Publication date
Field of study
No full text
Crossref
Exhaustive docking and solvated interaction energy scoring: lessons learned from the SAMPL4 challenge
Author
A Jakalian
A Jakalian
+43 more
CE Chang
CL Gibb
CR Corbeil
D Ma
DA Case
DA McQuarrie
DI Rhodes
Enrico O. Purisima
EO Purisima
EO Purisima
EO Purisima
EO Purisima
GL Warren
H Gohlke
H Gohlke
H Sun
Hervé Hogues
J Wang
JB Dunbar
JD Chodera
M Naim
MK Gilson
MK Gilson
MK Gilson
MR Reddy
N Moitessier
P Englebienne
P Ferrara
PA Kollman
Q Cui
R Wang
S Bhat
S Moghaddam
S Moghaddam
SP Brown
T Sulea
T Sulea
T Sulea
Traian Sulea
TS Peat
W Chen
W Chen
WD Cornell
Publication venue
'Springer Science and Business Media LLC'
Publication date
Field of study
No full text
Crossref
Exhaustive search and solvated interaction energy (SIE) for virtual screening and affinity prediction
Author
A Coluccia
A Hamza
+63 more
A Jakalian
A Jakalian
A Rodriguez-Granillo
B Kuhn
B Yang
C McInnes
C Wei
CE Chang
CI Bayly
CJ Fennell
CJ Fennell
CR Corbeil
D Ma
DA Case
DL Mobley
Enrico O. Purisima
EO Purisima
EO Purisima
EO Purisima
EO Purisima
F Floris
F Lecaille
GL Warren
H Gohlke
H Gohlke
Hervé Hogues
J Wang
JB Dunbar
JD Chodera
M Naïm
M Nguyen
M Okamoto
M Wimmerová
MA Lill
MD Duque
MK Gilson
MR Reddy
N Moitessier
NK Mishra
P Englebienne
P Ferrara
PA Kollman
PCD Hawkins
PJ Hajduk
Q Cui
R Wang
RD Smith
S Bhat
S Moghaddam
S Moghaddam
SL Chan
SL Chan
SP Brown
T Sulea
Traian Sulea
VM Anisimov
W Chen
WD Cornell
WD Cornell
WL Jorgensen
X Zou
YD Hartono
YT Wang
Publication venue
'Springer Science and Business Media LLC'
Publication date
Field of study
No full text
Crossref
Rapid prediction of solvation free energy. 3. Application to the SAMPL2 challenge
Author
A Jakalian
A Jakalian
+56 more
A Nicholls
A Nicholls
AA Rashin
AA Rashin
B Honig
B Marten
B Roux
B Roux
C Tan
C Tan
CC Chambers
Christopher R. Corbeil
CS Babu
D Eisenberg
D Shivakumar
D Sitkoff
DA Case
DA Case
DB Kitchen
DL Mobley
DL Mobley
DL Mobley
DL Mobley
E Gallicchio
Enrico O. Purisima
EO Purisima
EO Purisima
EO Purisima
F Floris
FM Floris
HA Carlson
J Aqvist
J Chen
J Wang
JP Guthrie
M Zacharias
MJ Huron
MK Gilson
MR Reddi
N Moitessier
NA Baker
R Wang
R Wang
RC Rizzo
RJ Woods
RL Mancera
RM Levy
SJ Weiner
T Scior
T Simonson
T Sulea
TA Halgren
Traian Sulea
WM Latimer
YK Kang
Z Li
Publication venue
'Springer Science and Business Media LLC'
Publication date
Field of study
No full text
Crossref
Systems biology network-based discovery of a small molecule activator BL-AD008 targeting AMPK/ZIPK and inducing apoptosis in cervical cancer
Author
Adjei
Ahsan
+42 more
Bateman
Botstein
Cesareni
Chen
Conzen
Cotter
Dumontier
Eils
Eils
Eisenberg
Elmore
Fesik
Gerstein
Harrington
Hopkins
Hunter
Kimchi
Krogan
Lauffenburger
Lavrik
Mahesh
Mandal
McCubrey
Nakakuma
Nielsen
Oltvai
Ouyang
Pedruzzi
Prehn
Purisima EO and Wang
Quaranta
Ricci
Sawodny
Shokat
Tyers
Varner
Wei
Weinberg
Weinberg
Yang
Yu
Zinovyev
Publication venue
'Impact Journals, LLC'
Publication date
Field of study
No full text
Crossref
MOLS 2.0: software package for peptide modeling and protein–ligand docking
Author
AO Griewank
D. Sam Paul
+26 more
DK Gehlhaar
EO Purisima
F Feixas
G Jones
G Nemethy
H Meirovitch
ID Kuntz
IW Davis
J Monod
JM Word
K Vengadesan
K Vengadesan
K Vengadesan
KA Olszewski
L Piela
M Harel
N. Gautham
P Arun Prasad
P Koehl
P Tuffery
RA Abagyan
S Kirkpatrick
TA Halgren
V Guilloux Le
W Sherman
WD Cornell
Publication venue
'Springer Science and Business Media LLC'
Publication date
Field of study
No full text
Crossref
Determination of protein structure and dynamics combining immune algorithms and pattern search methods
Author
A Tramontano
A. M. Anile
+28 more
AD McLachlan
BR Brooks
CC Huang
D Eisenberg
DR Jones
EO Purisima
FM Burnet
G Nicosia
G Nicosia
G. Narzisi
G. Nicosia
JE Dennis
JM Gablonsky
JU Bowie
KT Simons
M Levitt
MC Bartholomew-Biggs
N Foloppe
P Baldi
RG Carter
RH Byrd
RL Dunbrack Jr
S. Spinella
SE Huang
UH Hansmann
V. Cutello
Z Li
Zhu Hong
Publication venue
'Springer Science and Business Media LLC'
Publication date
Field of study
No full text
Crossref
Applications of Distributed Computing to Conformational Searches
Author
A/J Owens
BT Luke
+29 more
BT Luke
BT Luke
BT Luke
BT Luke
D Meyer
DB Fogel
DE Goldberg
ED Thorsett
ED Thorsett
EO Purisima
FA Momany
G Nemethy
H Muhlenbein
H-P Schwefel
HJ Bremremann
HP Luthi
I Rechenberg
J Baker
JF Janik
JH Holland
JJP Stewart
MF Guest
MJS Dewar
PR Andrews
RE Galardy
S Kindermann
SE Debolt
SL Lin
SYBYL is a registered trademark of Tripos Inc
Publication venue
'Springer Science and Business Media LLC'
Publication date
01/01/1999
Field of study
No full text
Crossref
Binding Modes of Three Inhibitors 8CA, F8A and I4A to A-FABP Studied Based on Molecular Dynamics Simulation
Author
A Amadei
A Cabre
+62 more
A Jakalian
A Perdih
A Vogel Hertzel
AC Wallace
B Vural
CG Ji
DC Bas
DL Beveridge
EL Wu
EM Wallace
EO Purisima
EO Purisima
F Lehmann
G Hu
GM Morris
GM Verkhivker
GS Hotamisligil
GS Hotamisligil
H Li
I Massova
J Chen
J Chen
J Chen
J Hirosumi
J Wang
J Wang
J Wang
J Wang
Jianzhong Chen
Jie Zheng
Jinan Wang
KT Uysal
L Banaszak
L Makowski
L Makowski
L Scheja
M Furuhashi
M Laberge
M Naïm
MA Murcko
P Kollman
Q Cui
Q Luo
R Levy
R Ringom
R Sulsky
S Bhat
SA Melki
T Barf
T Darden
T Hou
T Ichiye
T Zhu
TG Coleman
U Essmann
Weiliang Zhu
WL Jorgensen
X Huang
X Huang
Y Duan
Y Xu
Y-T Wang
Publication venue
'Public Library of Science (PLoS)'
Publication date
Field of study
No full text
Crossref
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