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Steven L. Dixon
Steven L. Dixon
在 schrodinger.com 的电子邮件经过验证
标题
引用次数
引用次数
年份
PHASE: a new engine for pharmacophore perception, 3D QSAR model development, and 3D database screening: 1. Methodology and preliminary results
SL Dixon, AM Smondyrev, EH Knoll, SN Rao, DE Shaw, RA Friesner
Journal of computer-aided molecular design 20, 647-671, 2006
13102006
PHASE: a novel approach to pharmacophore modeling and 3D database searching
SL Dixon, AM Smondyrev, SN Rao
Chemical biology & drug design 67 (5), 370-372, 2006
6872006
Analysis and comparison of 2D fingerprints: insights into database screening performance using eight fingerprint methods
J Duan, SL Dixon, JF Lowrie, W Sherman
Journal of Molecular Graphics and Modelling 29 (2), 157-170, 2010
4702010
Large-scale systematic analysis of 2D fingerprint methods and parameters to improve virtual screening enrichments
M Sastry, JF Lowrie, SL Dixon, W Sherman
Journal of chemical information and modeling 50 (5), 771-784, 2010
3772010
Semiempirical molecular orbital calculations with linear system size scaling
SL Dixon, KM Merz Jr
The Journal of chemical physics 104 (17), 6643-6649, 1996
3091996
Fast, accurate semiempirical molecular orbital calculations for macromolecules
SL Dixon, KM Merz Jr
The Journal of chemical physics 107 (3), 879-893, 1997
2571997
Automated descriptor selection for quantitative structure-activity relationships using generalized simulated annealing
JM Sutter, SL Dixon, PC Jurs
Journal of chemical information and computer sciences 35 (1), 77-84, 1995
2461995
Rapid shape-based ligand alignment and virtual screening method based on atom/feature-pair similarities and volume overlap scoring
GM Sastry, SL Dixon, W Sherman
Journal of chemical information and modeling 51 (10), 2455-2466, 2011
2302011
Use of robust classification techniques for the prediction of human cytochrome P450 2D6 inhibition
RG Susnow, SL Dixon
Journal of chemical information and computer sciences 43 (4), 1308-1315, 2003
2232003
AutoQSAR: an automated machine learning tool for best-practice quantitative structure–activity relationship modeling
SL Dixon, J Duan, E Smith, CD Von Bargen, W Sherman, MP Repasky
Future medicinal chemistry 8 (15), 1825-1839, 2016
1502016
Quantitative structure‐activity relationships for toxicity of phenols using regression analysis and computational neural networks
L Xu, JW Ball, SL Dixon, PC Jurs
Environmental Toxicology and Chemistry: An International Journal 13 (5), 841-851, 1994
1501994
In silico models for the prediction of dose-dependent human hepatotoxicity
A Cheng, SL Dixon
Journal of computer-aided molecular design 17, 811-823, 2003
1482003
Estimation of pKa for organic oxyacids using calculated atomic charges
SL Dixon, PC Jurs
Journal of computational chemistry 14 (12), 1460-1467, 1993
1331993
Quantum mechanical models correlating structure with selectivity: predicting the enantioselectivity of β-amino alcohol catalysts in aldehyde alkylation
MC Kozlowski, SL Dixon, M Panda, G Lauri
Journal of the American Chemical Society 125 (22), 6614-6615, 2003
1322003
One-dimensional molecular representations and similarity calculations: methodology and validation
SL Dixon, KM Merz
Journal of Medicinal Chemistry 44 (23), 3795-3809, 2001
1162001
Linear scaling molecular orbital calculations of biological systems using the semiempirical divide and conquer method
A van der Vaart, V Gogonea, SL Dixon, KM Merz Jr
Journal of Computational Chemistry 21 (16), 1494-1504, 2000
1022000
Charge-transfer interactions in macromolecular systems: a new view of the protein/water interface
G Nadig, LC Van Zant, SL Dixon, KM Merz
Journal of the American Chemical Society 120 (22), 5593-5594, 1998
981998
The hidden component of size in two-dimensional fragment descriptors: side effects on sampling in bioactive libraries
SL Dixon, RT Koehler
Journal of medicinal chemistry 42 (15), 2887-2900, 1999
971999
Reliable and accurate solution to the induced fit docking problem for protein–ligand binding
EB Miller, RB Murphy, D Sindhikara, KW Borrelli, MJ Grisewood, F Ranalli, ...
Journal of Chemical Theory and Computation 17 (4), 2630-2639, 2021
862021
Bioactive diversity and screening library selection via affinity fingerprinting
SL Dixon, HO Villar
Journal of chemical information and computer sciences 38 (6), 1192-1203, 1998
811998
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