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Volume 11; Issue 4
Main
Journal of Molecular Graphics
Volume 11; Issue 4
Journal of Molecular Graphics
Volume 11; Issue 4
1
Display and interpretation of solvent electron density distributions in insulin crystals
John Badger
Journal:
Journal of Molecular Graphics
Year:
1993
Language:
english
File:
PDF, 545 KB
Your tags:
english, 1993
2
Protein three-dimensional structure generation with an empirical hydrophobic penalty function
Kazunori Toma
Journal:
Journal of Molecular Graphics
Year:
1993
Language:
english
File:
PDF, 973 KB
Your tags:
english, 1993
3
A 3D model of the peripheral benzodiazepine receptor and its implication in intra mitochondrial cholesterol transport
J.M. Bernassau
,
J.L. Reversat
,
P. Ferrara
,
D. Caput
,
G. Lefur
Journal:
Journal of Molecular Graphics
Year:
1993
Language:
english
File:
PDF, 1.07 MB
Your tags:
english, 1993
4
A technique for identifying atoms from a screen image
D.A. Kuznetsov
,
R.A. Abagyan
Journal:
Journal of Molecular Graphics
Year:
1993
Language:
english
File:
PDF, 349 KB
Your tags:
english, 1993
5
Meeting on binding sites: characterizing and satisfying steric and chemical restraints. University of York, 28–30 March 1993
Tony Slater
,
Dave Timms
Journal:
Journal of Molecular Graphics
Year:
1993
Language:
english
File:
PDF, 532 KB
Your tags:
english, 1993
6
Twelfth annual conference of the molecular graphics society. Interlaken, 7–11 June 1993
Jacques Weber
Journal:
Journal of Molecular Graphics
Year:
1993
Language:
english
File:
PDF, 676 KB
Your tags:
english, 1993
7
Three-dimensional models of G-protein coupled receptors
M.F. Hibert
,
S. Trumpp-Kallmeyer
,
J. Hoflack
Journal:
Journal of Molecular Graphics
Year:
1993
Language:
english
File:
PDF, 107 KB
Your tags:
english, 1993
8
Pseudoreceptor modeling and the “YAK” concept
A. Vedani
,
J.P. Snyder
Journal:
Journal of Molecular Graphics
Year:
1993
Language:
english
File:
PDF, 247 KB
Your tags:
english, 1993
9
BR at work: a computeranimation for the 13-14-cis-model of the photochemical cycle of bacter10rhodopsin
H. Grubmüller
,
K. Döhring
,
P. Tavan
,
M. Nonella
,
D. Oesterhelt
Journal:
Journal of Molecular Graphics
Year:
1993
Language:
english
File:
PDF, 140 KB
Your tags:
english, 1993
10
Biologically active analogs of CD4
J.M. McDonnell
,
D. Wernicke-Jameson
,
B.A. Jameson
Journal:
Journal of Molecular Graphics
Year:
1993
Language:
english
File:
PDF, 284 KB
Your tags:
english, 1993
11
Molecular dynamics simulations of viral peptides bound to class I MHC proteins
D. Rognan
,
G. Folkers
Journal:
Journal of Molecular Graphics
Year:
1993
Language:
english
File:
PDF, 144 KB
Your tags:
english, 1993
12
Texture mapping in molecular graphics
Michael Teschner
,
Jürgen Brickmann
,
Christian Henn
Journal:
Journal of Molecular Graphics
Year:
1993
Language:
english
File:
PDF, 278 KB
Your tags:
english, 1993
13
Hydrophobic interactions and CoMFA using hint
DonaldJ. Abraham
,
GlenE. Kellogg
Journal:
Journal of Molecular Graphics
Year:
1993
Language:
english
File:
PDF, 134 KB
Your tags:
english, 1993
14
Solvent-dependent conformation of cyclosporin a: evidence from partition coefficients and molecular dynamics simulations
NabilEl Tayar
,
AlanE. Mark
,
Philippe Vallat
,
RogerM. Brunne
,
Bernard Testa
,
WilfredF. van Gunsterent
Journal:
Journal of Molecular Graphics
Year:
1993
Language:
english
File:
PDF, 274 KB
Your tags:
english, 1993
15
Automated pharmacophore identification and activity classification using apex-3D
E.R. Vorpagel
Journal:
Journal of Molecular Graphics
Year:
1993
Language:
english
File:
PDF, 141 KB
Your tags:
english, 1993
16
Identification by golpe of 3D regions affecting the inhibition power of a series of glucose analogues
G. Cruciani
,
S. Clementi
,
K. Woodt
Journal:
Journal of Molecular Graphics
Year:
1993
Language:
english
File:
PDF, 252 KB
Your tags:
english, 1993
17
3D-QSAR: a comparison of techniques applied to a series of biologically active molecules of diverse structure
I.M. McLay
,
J.S. Mason
Journal:
Journal of Molecular Graphics
Year:
1993
Language:
english
File:
PDF, 242 KB
Your tags:
english, 1993
18
At last: J-couplings again
H. Kessler
,
D.F. Mierke
,
T. Huber
Journal:
Journal of Molecular Graphics
Year:
1993
Language:
english
File:
PDF, 130 KB
Your tags:
english, 1993
19
The program xeasy for computer-supported NMR spectral analysis in the three-dimensional structure determination of biomacromolecules
Christian Bartels
,
Tai-he Xia
,
Kurt Wüthrich
Journal:
Journal of Molecular Graphics
Year:
1993
Language:
english
File:
PDF, 130 KB
Your tags:
english, 1993
20
Real-time comparison of electrostatic vector fields and their use in drug design
FrankE. Blaney
,
ColinM. Edge
,
RobW. Phippen
Journal:
Journal of Molecular Graphics
Year:
1993
Language:
english
File:
PDF, 130 KB
Your tags:
english, 1993
21
NMR studies of an unnatural oligonucleotide duplex
M.J.J. Blommers
,
M.L. Capobianco
,
P.P. Colonna
,
L. Tondelli
,
A. Garbesit
Journal:
Journal of Molecular Graphics
Year:
1993
Language:
english
File:
PDF, 137 KB
Your tags:
english, 1993
22
Cyclic peptides with a phosphinic bond: novel templates for the design of inhibitors of zinc metalloproteases?
P. Cuniasse
,
A. Yiotakis
,
A. Lecoq
,
I. Raynal
,
F. Toma
,
V. Dive
Journal:
Journal of Molecular Graphics
Year:
1993
Language:
english
File:
PDF, 137 KB
Your tags:
english, 1993
23
A uniform model explaining structure-activity relationships of opiates and β-casomorphins derived from molecular modelling and 1H NMR studies
W. Brandt
,
C. Mrestani-Klaus
,
R. Schmidt
,
A. Barth
,
P.W. Schiller
,
K. Neubert
Journal:
Journal of Molecular Graphics
Year:
1993
Language:
english
File:
PDF, 285 KB
Your tags:
english, 1993
24
Protein structure and drug design
T.L. Blundell
Journal:
Journal of Molecular Graphics
Year:
1993
Language:
english
File:
PDF, 150 KB
Your tags:
english, 1993
25
Modeling based on three-dimensional structure information about serine hydrolases and their inhibitors: thrombin, betalactamase, lipase and acetylcholinesterase
K. Gubernator
,
H.-J. Ammann
,
C. Broger
,
D. Bur
,
D.M. Doran
,
P.R. Gerber
,
K. Müller
,
Th.M. Schaumann
Journal:
Journal of Molecular Graphics
Year:
1993
Language:
english
File:
PDF, 275 KB
Your tags:
english, 1993
26
Empirical scale of conformational entropy for protein folding
M.J.E. Sternberg
,
S.D. Pickett
,
J.S. Chickos
Journal:
Journal of Molecular Graphics
Year:
1993
Language:
english
File:
PDF, 126 KB
Your tags:
english, 1993
27
Phospholipase A2—model building and enzyme-inhibitor interactions
FlemmingSteen Jørgensen
,
IngeThøger Christensen
Journal:
Journal of Molecular Graphics
Year:
1993
Language:
english
File:
PDF, 253 KB
Your tags:
english, 1993
28
Development of a system to predict tertiary structures of antibodies
H. Nakase
,
J. Doi
Journal:
Journal of Molecular Graphics
Year:
1993
Language:
english
File:
PDF, 128 KB
Your tags:
english, 1993
29
Semiquantitative ranking of absolute and relative binding free energies for a series of thymidylate synthase inhibitors using molecular mechanics methods
Xinjun Hou
,
ThomasF. Hendrickson
Journal:
Journal of Molecular Graphics
Year:
1993
Language:
english
File:
PDF, 295 KB
Your tags:
english, 1993
30
A computational algorithm for loop closure and application to modeling of the hypervariable loops in antibodies
C.M. Venkatachalam
,
D.J. Edwards
,
E.A. Potterton
,
R.E. Hubbard
Journal:
Journal of Molecular Graphics
Year:
1993
Language:
english
File:
PDF, 169 KB
Your tags:
english, 1993
31
The information explosion: how can we cope?
Peter Murray-Rust
Journal:
Journal of Molecular Graphics
Year:
1993
Language:
english
File:
PDF, 169 KB
Your tags:
english, 1993
32
An interactive approach to conformationally flexible searching of databases of three-dimensional structures
T.E. Moock
,
D.R. Henry
,
A.G. Ozkabak
,
M. Alamgir
,
O.F. Güner
Journal:
Journal of Molecular Graphics
Year:
1993
Language:
english
File:
PDF, 141 KB
Your tags:
english, 1993
33
Integrated 1D, 2D, and 3D queries in the drug design process
ScottD. Kahn
,
Shneor Berezin
,
JonathanW. Greene
,
SiuLing Ku
Journal:
Journal of Molecular Graphics
Year:
1993
Language:
english
File:
PDF, 141 KB
Your tags:
english, 1993
34
Systematic searches in structural databases to analyze and predict conformations and interaction geometries of small molecule ligands in protein complexes
Gerhard Klebe
,
Thomas Mietzner
Journal:
Journal of Molecular Graphics
Year:
1993
Language:
english
File:
PDF, 285 KB
Your tags:
english, 1993
35
3D shape similarity ranking in combination with conformationally flexible pharmacophore searching
J.-R. Mellema
,
V.J. van Geerestein
Journal:
Journal of Molecular Graphics
Year:
1993
Language:
english
File:
PDF, 145 KB
Your tags:
english, 1993
36
The role of 3D database searching in the design of potent nonpeptide HIV-1 protease inhibitors
PatrickY.-S. Lam
,
CharlesJ. Eyermann
,
C.Nick Hodge
,
PrabhakarK. Jadhav
,
Yu Ru
,
LeeT. Bacheler
,
JamesL. Meek
,
MichaelJ. Otto
,
MarleneM. Rayner
,
NancyY. Wong
,
ChongH. Chang
,
PatriciaC. Weber
,
DavidA. Ja
Journal:
Journal of Molecular Graphics
Year:
1993
Language:
english
File:
PDF, 145 KB
Your tags:
english, 1993
37
Idea—a program for 3D pattern searching in databases of drug molecules
Journal:
Journal of Molecular Graphics
Year:
1993
Language:
english
File:
PDF, 290 KB
Your tags:
english, 1993
38
Caveat, iliad, and triad: 3D searching for molecule design
PaulA. Bartlett
,
Georges Lauri
,
Gregory Weiss
Journal:
Journal of Molecular Graphics
Year:
1993
Language:
english
File:
PDF, 147 KB
Your tags:
english, 1993
39
Density functional pseudopotential studies of molecular geometries, vibrations, and binding potentials. Application to metallocarbohedrenes
H. Chen
,
M. Krasowski
,
G. Fitzgerald
,
M. Feyereisen
,
X.P. Long
,
R.A. Eades
Journal:
Journal of Molecular Graphics
Year:
1993
Language:
english
File:
PDF, 147 KB
Your tags:
english, 1993
40
Design and preliminary results of leapfrog, a second generation DE NOVO drug discovery tool
RichardD. Cramer III
Journal:
Journal of Molecular Graphics
Year:
1993
Language:
english
File:
PDF, 293 KB
Your tags:
english, 1993
41
Sprout-a program for the De Novo construction of bioactive molecules
V.J. Gillet
,
A.P. Johnson
,
W.R. Newell
,
P. Mata
,
S. Sike
Journal:
Journal of Molecular Graphics
Year:
1993
Language:
english
File:
PDF, 147 KB
Your tags:
english, 1993
42
Molecular modeling of HIV-1 reverse transcriptase-nevirapine complex using molecular dynamics simulations
MarioG. Cardozo
,
Liang Tong
,
Paul-James Jones
Journal:
Journal of Molecular Graphics
Year:
1993
Language:
english
File:
PDF, 298 KB
Your tags:
english, 1993
43
Modeling and synthesis of IGF-1 antagonists
B.A. Jameson
,
R. Baserga
Journal:
Journal of Molecular Graphics
Year:
1993
Language:
english
File:
PDF, 152 KB
Your tags:
english, 1993
44
Computer simulation of biomolecules: improvement in methodology for searching conformational space and prediction of molecular properties
W.F. Van Gunsteren
Journal:
Journal of Molecular Graphics
Year:
1993
Language:
english
File:
PDF, 152 KB
Your tags:
english, 1993
45
An extended force field for metal complexes: tripos 5.2-based parametrization for 4- and 5-coordinated copper(II)
U. Höweler
,
K. Angermund
,
S. Teipel
,
F. Wiesemann
,
B. Krebs
Journal:
Journal of Molecular Graphics
Year:
1993
Language:
english
File:
PDF, 131 KB
Your tags:
english, 1993
46
Metabolite and esr spectrum predictions on paracetamol analogues based on quantum chemical calculations
M.J. de Groot
,
E.J. Baede
,
J.G.M. Bessems
,
J.N.M. Commandeur
,
G.M.Donné-Op den Kelder
,
N.P.E. Vermeulen
Journal:
Journal of Molecular Graphics
Year:
1993
Language:
english
File:
PDF, 304 KB
Your tags:
english, 1993
47
Exploratory data analysis of large chemical databases: an analysis of the structural features of bioactive compounds
M.S. Lajiness
,
G.M. Maggiora
Journal:
Journal of Molecular Graphics
Year:
1993
Language:
english
File:
PDF, 174 KB
Your tags:
english, 1993
48
The prediction of yet-unknown molecular crystal structures by solving the packing problem
RobertJ. Gdanitz
,
HeinrichR. Karfunkel
,
FrankJ.J. Leusen
Journal:
Journal of Molecular Graphics
Year:
1993
Language:
english
File:
PDF, 285 KB
Your tags:
english, 1993
49
Interactive methods based on homology graphical tertiary structure comparison of amino acid sequences
I. Gusars
Journal:
Journal of Molecular Graphics
Year:
1993
Language:
english
File:
PDF, 112 KB
Your tags:
english, 1993
50
Molecular dynamics simulation of an active site-reduced model of the adenylate kinase from escherichia coli
Petra Kern
,
Gerd Folkers
Journal:
Journal of Molecular Graphics
Year:
1993
Language:
english
File:
PDF, 181 KB
Your tags:
english, 1993
51
Molecular modeling and CoMFA investigations of the serine proteases thermitase and dipeptidyl peptidase IV and their inhibitors
W. Brandt
,
T. Lehmann
,
A. Baith
,
S. Fittkau
Journal:
Journal of Molecular Graphics
Year:
1993
Language:
english
File:
PDF, 351 KB
Your tags:
english, 1993
52
The cis-proline peptide bond in peptides and proteins. which force does it stabilize?
W. Brandt
,
K. Frost
,
H. Schinke
,
A. Barth
,
C. Frömmel
Journal:
Journal of Molecular Graphics
Year:
1993
Language:
english
File:
PDF, 171 KB
Your tags:
english, 1993
53
The classification of serine proteases based on spatial comparisons of their active sites
K. Frost
,
A. Barth
,
M. Wahab
,
W. Brandt
Journal:
Journal of Molecular Graphics
Year:
1993
Language:
english
File:
PDF, 316 KB
Your tags:
english, 1993
54
The inhibition of serine proteases by n-peptidyl o-aroyl hydroxylamines—mechanistic investigations by means of semiempirical methods
I. Thondorf
,
W. Brandt
,
H.-U. Demuth
Journal:
Journal of Molecular Graphics
Year:
1993
Language:
english
File:
PDF, 146 KB
Your tags:
english, 1993
55
Sodium channel neurotoxins: molecular modeling and 3d search in the cambridge structural database
István Ujváry
,
Mátyás Czugler
,
JohnE. Casida
Journal:
Journal of Molecular Graphics
Year:
1993
Language:
english
File:
PDF, 305 KB
Your tags:
english, 1993
56
Molecular modeling applications in the docking of ligands in three-dimensional enzyme structures
E.A. Lunney
,
C. Humblet
Journal:
Journal of Molecular Graphics
Year:
1993
Language:
english
File:
PDF, 160 KB
Your tags:
english, 1993
57
NMR solution structure of α-cobratoxin at pH 3.2 and at pH 7.5
E. Leroy
,
A. Mikou
,
Y. Yinshan
,
E. Guittet
Journal:
Journal of Molecular Graphics
Year:
1993
Language:
english
File:
PDF, 329 KB
Your tags:
english, 1993
58
Design of potential angiogenin inhibitors
NicholasP. Tomkinson
,
B.J. Howlin
,
G.A. Webb
Journal:
Journal of Molecular Graphics
Year:
1993
Language:
english
File:
PDF, 170 KB
Your tags:
english, 1993
59
Correlation and prediction of blood-brain distribution
HarpreetS. Chadha
,
MichaelH. Abraham
,
RobertC. Mitchell
Journal:
Journal of Molecular Graphics
Year:
1993
Language:
english
File:
PDF, 303 KB
Your tags:
english, 1993
60
CoMFA of 5-substituted picolinic acids as inhibitors of dopamine-β-hydroxylase
S. Dove
Journal:
Journal of Molecular Graphics
Year:
1993
Language:
english
File:
PDF, 134 KB
Your tags:
english, 1993
61
Structure-activity studies of potassium channel ligands using theoretical methods
M. Collmer
,
H.-D. Holtje
Journal:
Journal of Molecular Graphics
Year:
1993
Language:
english
File:
PDF, 249 KB
Your tags:
english, 1993
62
Structure-activity relationships study of angiotensin-converting enzyme inhibitor captopril derivatives
C.N. Yoon
Journal:
Journal of Molecular Graphics
Year:
1993
Language:
english
File:
PDF, 115 KB
Your tags:
english, 1993
63
Author/title index
Journal:
Journal of Molecular Graphics
Year:
1993
Language:
english
File:
PDF, 115 KB
Your tags:
english, 1993
64
Keywords index
Journal:
Journal of Molecular Graphics
Year:
1993
Language:
english
File:
PDF, 79 KB
Your tags:
english, 1993
65
Calendar
Journal:
Journal of Molecular Graphics
Year:
1993
Language:
english
File:
PDF, 160 KB
Your tags:
english, 1993
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