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                             41 gevonden resultaten
nr titel auteur tijdschrift jaar jaarg. afl. pagina('s) type
1 ACD/Log P method description Alanas A. Petrauskas
 2000
 9-11 1 p. 99-116
18 p.
 artikel
2 A knowledge-based scoring function for protein-ligandinteractions: Probing the reference state Ingo Muegge
 2000
 9-11 1 p. 99-114
16 p.
 artikel
3 A recursive algorithm for efficient combinatorial library docking Matthias Rarey
 2000
 9-11 1 p. 63-81
19 p.
 artikel
4 Author Index Volume 17 1999 1999
 9-11 1 p. 119-119
1 p.
 artikel
5 Calculating log P(oct) with no missing fragments;The problem of estimating new interaction parameters Albert J. Leo
 2000
 9-11 1 p. 19-38
20 p.
 artikel
6 Calculating partition coefficient byatom-additive method Renxiao Wang
 2000
 9-11 1 p. 47-66
20 p.
 artikel
7 Combination of molecular similaritymeasures using data fusion Claire M.R. Ginn
 2000
 9-11 1 p. 1-16
16 p.
 artikel
8 Combined molecular mechanical and continuum solventapproach (MM-PBSA/GBSA) to predict ligand binding Irina Massova
 2000
 9-11 1 p. 113-135
23 p.
 artikel
9 Computer-assisted synthesis and reaction planning incombinatorial chemistry Johann Gasteiger
 2000
 9-11 1 p. 245-264
20 p.
 artikel
10 Discovering high-affinity ligands from thecomputationally predicted structures and affinities ofsmall molecules bound to a target: A virtual screeningapproach Tami J. Marrone
 2000
 9-11 1 p. 209-230
22 p.
 artikel
11 Estimating aqueous solvation and lipophilicity of small organic molecules: A comparative overview of atom/group contribution methods Vellarkad N. Viswanadhan
 2000
 9-11 1 p. 85-98
14 p.
 artikel
12 Estimating binding constants The hydrophobiceffect and cooperativity Dudley H. Williams
 1999
 9-11 1 p. 43-59
17 p.
 artikel
13 Estimating log P with atom/fragments and watersolubility with log P William M. Meylan
 2000
 9-11 1 p. 67-84
18 p.
 artikel
14 Evaluation of reactant-based and product-basedapproaches to the design of combinatorial libraries Valerie J. Gillet
 2000
 9-11 1 p. 265-287
23 p.
 artikel
15 EVA/PLS versus autocorrelation/neural networkestimation of partition coefficients James Devillers
 2000
 9-11 1 p. 117-131
15 p.
 artikel
16 Generating consistent sets of thermodynamic andstructural data for analysis of protein-ligand interactions Thomas G. Davies
 2000
 9-11 1 p. 29-42
14 p.
 artikel
17 Hydrophobic and solvation effects on thesolubility of hydroxysteroids in varioussolvents: Quantitative and qualitativeassessment by application of the mobileorder and disorder theory Paul Ruelle
 2000
 9-11 1 p. 61-112
52 p.
 artikel
18 Hydrophobicity maps and docking of molecular fragments with solvation Nicolas Majeux
 2000
 9-11 1 p. 145-169
25 p.
 artikel
19 Hydrophobic regions on protein surfaces Frank Eisenhaber
 1999
 9-11 1 p. 27-42
16 p.
 artikel
20 In vitro and in silico affinity fingerprints: Finding similarities beyond structuralclasses Hans Briem
 2000
 9-11 1 p. 231-244
14 p.
 artikel
21 Lipophilicity in trans-bilayer transport andsubcellular pharmacokinetics tefan Balá
 2000
 9-11 1 p. 157-177
21 p.
 artikel
22 Modeling liquid properties, solvation, andhydrophobicity: A molecular size-based perspective Peter Buchwald
 2000
 9-11 1 p. 19-45
27 p.
 artikel
23 Modifications of the scoring function in FlexXfor virtual screening applications Martin Stahl
 2000
 9-11 1 p. 83-98
16 p.
 artikel
24 Multiple computer-automated structure evaluation modelof the plasma protein binding affinity of diverse drugs Roustem D. Saiakhov
 2000
 9-11 1 p. 133-155
23 p.
 artikel
25 Multiple molecular superpositioning as an effective tool for virtual database screening Christian Lemmen
 2000
 9-11 1 p. 43-62
20 p.
 artikel
26 Observations on the strength of hydrogen bonding Christian Laurence
 2000
 9-11 1 p. 39-60
22 p.
 artikel
27 Optimization of the drug-likeness of chemical libraries Jens Sadowski
 2000
 9-11 1 p. 17-28
12 p.
 artikel
28 Predicting binding modes, binding affinities and`hot spots' for protein-ligand complexesusing a knowledge-based scoring function Holger Gohlke
 2000
 9-11 1 p. 115-144
30 p.
 artikel
29 Preface Yvonne C. Martin
 2000
 9-11 1 p. 5-6
2 p.
 artikel
30 Preface Yvonne C. Martin
 2000
 9-11 1 p. 5-6
2 p.
 artikel
31 Preface Yvonne C. Martin
 1999
 9-11 1 p. 5-6
2 p.
 artikel
32 Preface Gerhard Klebe
 2000
 9-11 1 p. 7-11
5 p.
 artikel
33 Role of hydrophobic effects in mechanistic QSAR Albert J. Leo
 1999
 9-11 1 p. 1-25
25 p.
 artikel
34 Similarity versus docking in 3D virtualscreening Jordi Mestres
 2000
 9-11 1 p. 191-207
17 p.
 artikel
35 Solution X-ray scattering as a probe ofhydration-dependent structuring of aqueous solutions Greg Hura
 1999
 9-11 1 p. 97-118
22 p.
 artikel
36 Subject Index Volume 17 1999 1999
 9-11 1 p. 121-126
6 p.
 artikel
37 The applicability of computational chemistry in theevaluation and prediction of drug transport properties Ulf Norinder
 2000
 9-11 1 p. 1-18
18 p.
 artikel
38 The hydrophobic fragmental constant approach forcalculating log P in octanol/water and aliphatic hydrocarbon/water systems Raimund Mannhold
 2000
 9-11 1 p. 1-18
18 p.
 artikel
39 The influence of lipophilicity on the pharmacokineticbehavior of drugs: Concepts and examples Bernard Testa
 2000
 9-11 1 p. 179-211
33 p.
 artikel
40 Towards a comprehensive non-ergodic treatment of H-bonds and hydrophobicity in real solutions: The mobile order and disorder theory P. Ruelle
 1999
 9-11 1 p. 61-96
36 p.
 artikel
41 Virtual screening with solvation andligand-induced complementarity Volker Schnecke
 2000
 9-11 1 p. 171-190
20 p.
 artikel
                             41 gevonden resultaten
 
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