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Improved CoMFA Modeling by Optimization of Settings
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inferredcites →https://doi.org/10.1002/(sici)1096-987x(199608)17:11<1296::aid-jcc2>3.0.co;2-hopenalex-snapshot
Different electrostatic descriptors in comparative molecular field analysis: A comparison of molecular electrostatic and coulomb potentials
inferredcites →https://doi.org/10.1002/(sici)1099-128x(199609)10:5/6<533::aid-cem465>3.0.co;2-jopenalex-snapshot
3D-QSAR investigation of the tripos benchmark steroids and some protein-tyrosine kinase inhibitors of styrene type using the TDQ approach
inferredcites →https://doi.org/10.1002/1099-1387(200009)6:9<470::aid-psc287>3.0.co;2-xopenalex-snapshot
Design and synthesis of inhibitors incorporating ?-amino acids of metalloendopeptidase EC 3.4.24.15
inferredcites →https://doi.org/10.1002/1521-3838(200006)19:3<237::aid-qsar237>3.0.co;2-aopenalex-snapshot
The Thirty-one Benchmark Steroids Revisited: Comparative Molecular Moment Analysis (CoMMA) with Principal Component Regression
inferredcites →https://doi.org/10.1002/1521-3838(200210)21:4<348::aid-qsar348>3.0.co;2-dopenalex-snapshot
From Narcosis to Hyperspace: The History of QSAR
inferredcites →https://doi.org/10.1002/3527609164.ch11openalex-snapshot
Application of Structure‐Based Alignment Methods for 3D QSAR Analyses
inferredcites →https://doi.org/10.1002/9780470125885.ch3openalex-snapshot
Theoretical and Practical Aspects of Three‐Dimensional Quantitative Structure‐Activity Relationships
inferredcites →https://doi.org/10.1002/9783527615452.ch5openalex-snapshot
Statistical Validation of QSAR Results
inferredcites →https://doi.org/10.1002/anie.200390347openalex-snapshot
Macrocyclic Inhibitors of the NS3 Protease as Potential Therapeutic Agents of Hepatitis C Virus Infection
inferredcites →https://doi.org/10.1002/cem.1180060604openalex-snapshot
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inferredcites →https://doi.org/10.1002/cem.1180060605openalex-snapshot
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inferredcites →https://doi.org/10.1002/cem.671openalex-snapshot
Strategies for subset selection of parts of an in-house chemical library
inferredcites →https://doi.org/10.1002/cem.679openalex-snapshot
The GIFI approach to non‐linear PLS modeling
inferredcites →https://doi.org/10.1002/jcc.540100804openalex-snapshot
Validation of the general purpose tripos 5.2 force field
inferredcites →https://doi.org/10.1002/prot.20088openalex-snapshot
A detailed comparison of current docking and scoring methods on systems of pharmaceutical relevance
inferredcites →https://doi.org/10.1002/prot.20149openalex-snapshot
Comparative evaluation of eight docking tools for docking and virtual screening accuracy
inferredcites →https://doi.org/10.1002/prot.20497openalex-snapshot
Comparing protein–ligand docking programs is difficult
inferredcites →https://doi.org/10.1002/prot.21082openalex-snapshot
Protein–ligand docking: Current status and future challenges
inferredcites →https://doi.org/10.1002/qsar.19910100303openalex-snapshot
Theoretical Determination of the Putative Receptor‐bound Conformations of 5‐HT2 Receptor Agonists
inferredcites →https://doi.org/10.1002/qsar.19930120104openalex-snapshot
Comparison of the Minimal Steric Difference (MTD) and Comparative Molecular Field Analysis (CoMFA) Methods for Analysis of Binding of Steroids to Carrier Proteins
inferredcites →https://doi.org/10.1002/qsar.19930120205openalex-snapshot
The Probability of Chance Correlation Using Partial Least Squares (PLS)
inferredcites →https://doi.org/10.1002/qsar.19940130306openalex-snapshot
Variable Selection in QSAR Studies. I. An Evolutionary Algorithm
inferredcites →https://doi.org/10.1002/qsar.19940130403openalex-snapshot
Variable Selection in QSAR Studies. II. A Highly Efficient Combination of Systematic Search and Evolution
inferredcites →https://doi.org/10.1002/qsar.19950140602openalex-snapshot
A Fast Algorithm For Selecting Sets Of Dissimilar Molecules From Large Chemical Databases
inferredcites →https://doi.org/10.1002/qsar.19960150502openalex-snapshot
Conformational Analysis and 3D QSAR Study on Novel Partial Agonists of 5‐HT3 Receptors
inferredcites →https://doi.org/10.1002/qsar.200390007openalex-snapshot
The Importance of Being Earnest: Validation is the Absolute Essential for Successful Application and Interpretation of QSPR Models
inferredcites →https://doi.org/10.1002/qsar.200430909openalex-snapshot
The Better Predictive Model: High q2 for the Training Set or Low Root Mean Square Error of Prediction for the Test Set?
inferredcites →https://doi.org/10.1002/qsar.200430924openalex-snapshot
Ligand Docking and Design in a Flexible Receptor Site
inferredcites →https://doi.org/10.1002/qsar.200510161openalex-snapshot
On Selection of Training and Test Sets for the Development of Predictive QSAR models
inferredcites →https://doi.org/10.1007/0-306-46858-1_13openalex-snapshot
The CoMFA Steroids as a Benchmark Dataset for Development of 3D QSAR Methods
inferredcites →https://doi.org/10.1007/0-306-46858-1_16openalex-snapshot
A Critical Review of Recent CoMFA Applications
inferredcites →https://doi.org/10.1007/0-306-46858-1_2openalex-snapshot
Recent Progress in CoMFA Methodology and Related Techniques
inferredcites →https://doi.org/10.1007/0-306-46858-1_3openalex-snapshot
Improving the Predictive Quality of CoMFA Models
inferredcites →https://doi.org/10.1007/0-306-46858-1_4openalex-snapshot
Cross-Validated R2 Guided Region Selection for CoMFA Studies
inferredcites →https://doi.org/10.1007/0-306-46883-2_4openalex-snapshot
Multiple molecular superpositioning as an effective tool for virtual database screening
inferredcites →https://doi.org/10.1007/978-3-319-17885-1_100388openalex-snapshot
Evolutionary Algorithms
inferredcites →https://doi.org/10.1007/bf00117403openalex-snapshot
Experimental design based 3-D QSAR analysis of steroid-protein interactions: Application to human CBG complexes
inferredcites →https://doi.org/10.1007/bf00124364openalex-snapshot
Sample-distance partial least squares: PLS optimized for many variables, with application to CoMFA
inferredcites →https://doi.org/10.1007/bf00124452openalex-snapshot
Replacement of steric 6?12 potential-derived interaction energies by atom-based indicator variables in CoMFA leads to models of higher consistency
inferredcites →https://doi.org/10.1007/bf00124467openalex-snapshot
Comparative molecular field analysis of non-steroidal aromatase inhibitors related to fadrozole
inferredcites →https://doi.org/10.1007/bf00134175openalex-snapshot
E-state fields: Applications to 3D QSAR
inferredcites →https://doi.org/10.1007/bf00134180openalex-snapshot
A 3D QSAR CoMFA study of non-peptide angiotensin II receptor antagonists
inferredcites →https://doi.org/10.1007/s00894-002-0112-yopenalex-snapshot
Binding site characteristics in structure-based virtual screening: evaluation of current docking tools
inferredcites →https://doi.org/10.1007/s008940050085openalex-snapshot
All-Orientation Search and All-Placement Search in Comparative Molecular Field Analysis
inferredcites →https://doi.org/10.1016/0022-5193(77)90298-3openalex-snapshot
Mapping of dihydrofolate-reductase receptor site by correlation with minimal topological (steric) differences
inferredcites →https://doi.org/10.1016/0031-6865(95)00014-zopenalex-snapshot
Use of comparative molecular field analysis and cluster analysis in series design
inferredcites →https://doi.org/10.1016/0040-4020(80)80168-2openalex-snapshot
Iterative partial equalization of orbital electronegativity—a rapid access to atomic charges
inferredcites →https://doi.org/10.1016/0165-9936(95)00086-0openalex-snapshot
Experimental design III. Quantification
inferredcites →https://doi.org/10.1016/0165-9936(96)80762-xopenalex-snapshot
Experimental design II. Optimization
inferredcites →https://doi.org/10.1016/0169-7439(94)85050-xopenalex-snapshot
Comparing the predictive accuracy of models using a simple randomization test
inferredcites →https://doi.org/10.1016/0898-5529(90)90156-3openalex-snapshot
Automatic generation of 3D-atomic coordinates for organic molecules
inferredcites →https://doi.org/10.1016/0960-894x(96)00116-3openalex-snapshot
The design, binding affinity prediction and synthesis of macrocyclic angiotensin II AT1 and AT2 receptor antagonists
inferredcites →https://doi.org/10.1016/b978-0-08-026388-5.50041-9openalex-snapshot
RECEPTOR SITE MAPPING FOR CARDIOTONIC AGLYCONES BY THE MINIMAL STERIC DIFFERENCE METHOD
inferredcites →https://doi.org/10.1016/j.amjmed.2004.03.024openalex-snapshot
Hepatitis C treatment update
inferredcites →https://doi.org/10.1016/j.bbagen.2004.02.008openalex-snapshot
Structure–activity relationships for the selectivity of hepatitis C virus NS3 protease inhibitors
inferredcites →https://doi.org/10.1016/j.bmc.2005.08.045openalex-snapshot
Exploration of acyl sulfonamides as carboxylic acid replacements in protease inhibitors of the hepatitis C virus full-length NS3
inferredcites →https://doi.org/10.1016/j.bmc.2006.11.003openalex-snapshot
Phenylglycine as a novel P2 scaffold in hepatitis C virus NS3 protease inhibitors
inferredcites →https://doi.org/10.1016/j.bmcl.2003.09.075openalex-snapshot
P1 and P3 optimization of novel bicycloproline P2 bearing tetrapeptidyl α-ketoamide based HCV protease inhibitors
inferredcites →https://doi.org/10.1016/j.bmcl.2004.01.022openalex-snapshot
Inhibitors of hepatitis C virus NS3·4A protease 2. Warhead SAR and optimization
inferredcites →https://doi.org/10.1016/j.ddtec.2004.08.004openalex-snapshot
Scoring functions for protein–ligand interactions: a critical perspective
inferredcites →https://doi.org/10.1016/j.febslet.2006.04.011openalex-snapshot
The role of molecular modelling in biomedical research
inferredcites →https://doi.org/10.1016/j.jmb.2004.01.003openalex-snapshot
Protein Flexibility in Ligand Docking and Virtual Screening to Protein Kinases
inferredcites →https://doi.org/10.1016/s0092-8674(00)81350-1openalex-snapshot
The Crystal Structure of Hepatitis C Virus NS3 Proteinase Reveals a Trypsin-like Fold and a Structural Zinc Binding Site
inferredcites →https://doi.org/10.1016/s0092-8674(00)81351-3openalex-snapshot
Crystal Structure of the Hepatitis C Virus NS3 Protease Domain Complexed with a Synthetic NS4A Cofactor Peptide
inferredcites →https://doi.org/10.1016/s0097-8485(02)00055-4openalex-snapshot
Simultaneous determination of bioactive conformations and alignment rules by multi-way PLS modeling
inferredcites →https://doi.org/10.1016/s0165-6147(00)89052-5openalex-snapshot
3D-QSAR: a current perspective
inferredcites →https://doi.org/10.1016/s0165-6147(03)00159-7openalex-snapshot
Principles: The need for better experimental design
inferredcites →https://doi.org/10.1016/s0166-1280(98)00082-7openalex-snapshot
Comparative molecular field analysis of protein tyrosine phosphatase low-molecular-weight substrates
inferredcites →https://doi.org/10.1016/s0168-8278(02)00051-xopenalex-snapshot
Choo QL, Kuo G, Weiner AJ, Overby LR, Bradley DW, Houghton M. Isolation of a cDNA clone derived from a blood-borne non-A, non-B viral hepatitis genome [Science 1989;244:359–362]
inferredcites →https://doi.org/10.1016/s0169-7439(98)00065-3openalex-snapshot
Experimental design and optimization
inferredcites →https://doi.org/10.1016/s0169-7439(99)00063-5openalex-snapshot
Rational choice of bioactive conformations through use of conformation analysis and 3-way partial least squares modeling
inferredcites →https://doi.org/10.1016/s0223-5234(00)00108-2openalex-snapshot
Validation of protein-based alignment in 3D quantitative structure–activity relationships with CoMFA models
inferredcites →https://doi.org/10.1016/s0960-894x(01)00843-5openalex-snapshot
Evolution, synthesis and SAR of tripeptide α-ketoacid Inhibitors of the hepatitis C virus NS3/NS4A serine protease
inferredcites →https://doi.org/10.1016/s0969-2126(00)80025-8openalex-snapshot
Molecular views of viral polyprotein processing revealed by the crystal structure of the hepatitis C virus bifunctional protease–helicase
inferredcites →https://doi.org/10.1016/s1093-3263(01)00110-3openalex-snapshot
Automatic generation of alignments for 3D QSAR analyses
inferredcites →https://doi.org/10.1016/s1093-3263(98)00008-4openalex-snapshot
Comparison of algorithms for dissimilarity-based compound selection
inferredcites →https://doi.org/10.1016/s1359-6446(97)01079-9openalex-snapshot
QSAR and 3D QSAR in drug design Part 1: methodology
inferredcites →https://doi.org/10.1016/s1359-6446(97)01084-2openalex-snapshot
QSAR and 3D QSAR in drug design Part 2: applications and problems
inferredcites →https://doi.org/10.1016/s1367-5931(02)00339-3openalex-snapshot
Lead discovery using molecular docking
inferredcites →https://doi.org/10.1016/s1473-3099(05)70216-4openalex-snapshot
Global epidemiology of hepatitis C virus infection
inferredcites →https://doi.org/10.1021/bi980314nopenalex-snapshot
Potent Peptide Inhibitors of Human Hepatitis C Virus NS3 Protease Are Obtained by Optimizing the Cleavage Products
inferredcites →https://doi.org/10.1021/bi9924260openalex-snapshot
α-Ketoacids Are Potent Slow Binding Inhibitors of the Hepatitis C Virus NS3 Protease
inferredcites →https://doi.org/10.1021/ci00023a009openalex-snapshot
Simulation Analysis of Experimental Design Strategies for Screening Random Compounds as Potential New Drugs and Agrochemicals
inferredcites →https://doi.org/10.1021/ci0103830openalex-snapshot
Evaluation of a Novel Electronic Eigenvalue (EEVA) Molecular Descriptor for QSAR/QSPR Studies: Validation Using a Benchmark Steroid Data Set
inferredcites →https://doi.org/10.1021/ci025626iopenalex-snapshot
Assessing Model Fit by Cross-Validation
inferredcites →https://doi.org/10.1021/ci0342268openalex-snapshot
Comparing the Quality and Predictiveness between 3D QSAR Models Obtained from Manual and Automated Alignment
inferredcites →https://doi.org/10.1021/ci049762uopenalex-snapshot
CoMFA and Docking Studies on Glycogen PhosphorylaseaInhibitors as Antidiabetic Agents
inferredcites →https://doi.org/10.1021/ci049893vopenalex-snapshot
CoMFA 3D-QSAR Analysis of HIV-1 RT Nonnucleoside Inhibitors, TIBO Derivatives Based on Docking Conformation and Alignment
inferredcites →https://doi.org/10.1021/ci0503255openalex-snapshot
On Evaluating Molecular-Docking Methods for Pose Prediction and Enrichment Factors
inferredcites →https://doi.org/10.1021/ci9704221openalex-snapshot
A Different Method for Steric Field Evaluation in CoMFA Improves Model Robustness
inferredcites →https://doi.org/10.1021/ja00066a004openalex-snapshot
3D-QSAR of angiotensin-converting enzyme and thermolysin inhibitors: a comparison of CoMFA models based on deduced and experimentally determined active site geometries
inferredcites →https://doi.org/10.1021/ja00123a014openalex-snapshot
Design and Synthesis of a Transition State Analog for the Ene Reaction between Maleimide and 1-Alkenes
inferredcites →https://doi.org/10.1021/ja00134a023openalex-snapshot
Autocorrelation of Molecular Surface Properties for Modeling Corticosteroid Binding Globulin and Cytosolic Ah Receptor Activity by Neural Networks
inferredcites →https://doi.org/10.1021/ja00226a005openalex-snapshot
Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins
inferredcites →https://doi.org/10.1021/ja00544a005openalex-snapshot
A QSAR investigation of dihydrofolate reductase inhibition by Baker triazines based upon molecular shape analysis
inferredcites →https://doi.org/10.1021/ja00863a008openalex-snapshot
Electronegativity. I. Orbital Electronegativity of Neutral Atoms
inferredcites →https://doi.org/10.1021/ja00863a009openalex-snapshot
Some Flash-photolytic and Photochemical Studies of Retinene and Related Compounds
inferredcites →https://doi.org/10.1021/ja01062a035openalex-snapshot
p-σ-π Analysis. A Method for the Correlation of Biological Activity and Chemical Structure
inferredcites →https://doi.org/10.1021/je60033a020openalex-snapshot
A brief review and table of semiempirical parameters used in the Hueckel molecular orbital method
inferredcites →https://doi.org/10.1021/jm00004a012openalex-snapshot
Three-Dimensional Quantitative Structure-Activity Relationships of Sulfonamide Endothelin Inhibitors
inferredcites →https://doi.org/10.1021/jm00007a003openalex-snapshot
Cross-Validated R2-Guided Region Selection for Comparative Molecular Field Analysis: A Simple Method To Achieve Consistent Results
inferredcites →https://doi.org/10.1021/jm00011a017openalex-snapshot
Three-Dimensional Quantitative Structure-Activity Relationships of Somatostatin Analogs. 1. Comparative Molecular Field Analysis of Growth Hormone Release-Inhibiting Potencies
inferredcites →https://doi.org/10.1021/jm00025a009openalex-snapshot
3D-Quantitative Structure-Activity Relationships of Human Immunodeficiency Virus Type-1 Proteinase Inhibitors: Comparative Molecular Field Analysis of 2-Heterosubstituted Statine Derivatives-Implications for the Design of Novel Inhibitors
inferredcites →https://doi.org/10.1021/jm00032a010openalex-snapshot
Comparative Molecular Field Analysis of the Antitumor Activity of 9H-Thiioxanthen-9-one Derivatives against Pancreatic Ductal Carcinoma 03
inferredcites →https://doi.org/10.1021/jm00040a013openalex-snapshot
Three-dimensional quantitative structure-activity relationship of human immunodeficiency virus (I) protease inhibitors. 2. Predictive power using limited exploration of alternate binding modes
inferredcites →https://doi.org/10.1021/jm00041a010openalex-snapshot
Compass: Predicting Biological Activities from Molecular Surface Properties. Performance Comparisons on a Steroid Benchmark
inferredcites →https://doi.org/10.1021/jm00050a010openalex-snapshot
Molecular Similarity Indices in a Comparative Analysis (CoMSIA) of Drug Molecules to Correlate and Predict Their Biological Activity
inferredcites →https://doi.org/10.1021/jm00053a009openalex-snapshot
On the prediction of binding properties of drug molecules by comparative molecular field analysis
inferredcites →https://doi.org/10.1021/jm00068a017openalex-snapshot
3D-QSAR(Three-Dimensional Quantitative Structure)-Activity Relationship Of Angiotensin-Converting Enzyme And Thermolysin Inhibitors. II. A Comparison Of CoMFA Models Incorporating Molecular Orbital Fields And Desolvation Free Energies Based On Active-Analog And Complementary-Receptor-Field…
inferredcites →https://doi.org/10.1021/jm00078a003openalex-snapshot
Three-dimensional QSAR of human immunodeficiency virus (I) protease inhibitors. 1. A CoMFA study employing experimentally-determined alignment rules
inferredcites →https://doi.org/10.1021/jm00088a002openalex-snapshot
Definition and display of steric, hydrophobic, and hydrogen bonding properties of ligand binding sites in proteins using Lee and Richards accessible surface: validation of a high-resolution graphical tool for drug design
inferredcites →https://doi.org/10.1021/jm000941mopenalex-snapshot
GRid-INdependent Descriptors (GRIND): A Novel Class of Alignment-Independent Three-Dimensional Molecular Descriptors
inferredcites →https://doi.org/10.1021/jm00145a002openalex-snapshot
A computational procedure for determining energetically favorable binding sites on biologically important macromolecules
inferredcites →https://doi.org/10.1021/jm00334a001openalex-snapshot
A Mathematical Contribution to Structure-Activity Studies
inferredcites →https://doi.org/10.1021/jm00381a013openalex-snapshot
Use of physicochemical parameters in distance geometry and related three-dimensional quantitative structure-activity relationships: A demonstration using Escherichia coli dihydrofolate reductase inhibitors
inferredcites →https://doi.org/10.1021/jm010399hopenalex-snapshot
CoMFA and CoMSIA 3D QSAR and Docking Studies on Conformationally-Restrained Cinnamoyl HIV-1 Integrase Inhibitors: Exploration of a Binding Mode at the Active Site
inferredcites →https://doi.org/10.1021/jm010425bopenalex-snapshot
Designing Non-Peptide Peptidomimetics in the 21st Century: Inhibitors Targeting Conformational Ensembles
inferredcites →https://doi.org/10.1021/jm011059zopenalex-snapshot
Endomorphin-1 Analogues Containing β-Proline Are μ-Opioid Receptor Agonists and Display Enhanced Enzymatic Hydrolysis Resistance
inferredcites →https://doi.org/10.1021/jm020194oopenalex-snapshot
Topomer CoMFA: A Design Methodology for Rapid Lead Optimization
inferredcites →https://doi.org/10.1021/jm020808popenalex-snapshot
DrugScore Meets CoMFA: Adaptation of Fields for Molecular Comparison (AFMoC) or How to Tailor Knowledge-Based Pair-Potentials to a Particular Protein
inferredcites →https://doi.org/10.1021/jm0302997openalex-snapshot
Evaluation of Docking Performance: Comparative Data on Docking Algorithms
inferredcites →https://doi.org/10.1021/jm049116mopenalex-snapshot
Application of Validated QSAR Models of D1Dopaminergic Antagonists for Database Mining
inferredcites →https://doi.org/10.1021/jm0494523openalex-snapshot
A Systematic Approach to the Optimization of Substrate-Based Inhibitors of the Hepatitis C Virus NS3 Protease: Discovery of Potent and Specific Tripeptide Inhibitors
inferredcites →https://doi.org/10.1021/jm0497141openalex-snapshot
A Comparison of Methods for Modeling Quantitative Structure−Activity Relationships
inferredcites →https://doi.org/10.1021/jm050362nopenalex-snapshot
A Critical Assessment of Docking Programs and Scoring Functions
inferredcites →https://doi.org/10.1021/jm058047oopenalex-snapshot
Effects of Variable Docking Conditions and Scoring Functions on Corresponding Protein-Aligned Comparative Molecular Field Analysis Models Constructed from Diverse Human Protein Tyrosine Phosphatase 1B Inhibitors
inferredcites →https://doi.org/10.1021/jm060325bopenalex-snapshot
Discovery of (1 R ,5 S )- N -[3-Amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]- 3-[2( S )-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2( S )-carboxamide (SCH 503034), a Selective, Potent, Orally Bioavailable Hepatitis C Virus NS3…
inferredcites →https://doi.org/10.1021/jm950589qopenalex-snapshot
Comparative Molecular Moment Analysis (CoMMA): 3D-QSAR without Molecular Superposition
inferredcites →https://doi.org/10.1021/jm950771ropenalex-snapshot
Structure-Based Alignment and Comparative Molecular Field Analysis of Acetylcholinesterase Inhibitors
inferredcites →https://doi.org/10.1021/jm9605647openalex-snapshot
Diltiazem-like Calcium Entry Blockers: A Hypothesis of the Receptor-Binding Site Based on a Comparative Molecular Field Analysis Model
inferredcites →https://doi.org/10.1021/jm9608016openalex-snapshot
Smart Region Definition: A New Way To Improve the Predictive Ability and Interpretability of Three-Dimensional Quantitative Structure−Activity Relationships
inferredcites →https://doi.org/10.1021/jm9700878openalex-snapshot
Random or Rational Design? Evaluation of Diverse Compound Subsets from Chemical Structure Databases
inferredcites →https://doi.org/10.1021/jm9806852openalex-snapshot
Comparative Molecular Field Analysis of Fungal Squalene Epoxidase Inhibitors
inferredcites →https://doi.org/10.1021/jm981062ropenalex-snapshot
Three-Dimensional Quantitative Structure−Activity Relationship Analyses Using Comparative Molecular Field Analysis and Comparative Molecular Similarity Indices Analysis To Elucidate Selectivity Differences of Inhibitors Binding to Trypsin, Thrombin, and Factor Xa
inferredcites →https://doi.org/10.1021/jm990526yopenalex-snapshot
CoMFA-Based Prediction of Agonist Affinities at Recombinant Wild Type versus Serine to Alanine Point Mutated D2 Dopamine Receptors
inferredcites →https://doi.org/10.1021/jo00008a028openalex-snapshot
Direct prediction of linear free energy substituent effects from 3D structures using comparative molecular field analysis. 1. Electronic effects of substituted benzoic acids
inferredcites →https://doi.org/10.1021/jo982305qopenalex-snapshot
Boc-Phenylglycine: The Reagent of Choice for the Assignment of the Absolute Configuration of α-Chiral Primary Amines by 1H NMR Spectroscopy
inferredcites →https://doi.org/10.1023/a:1007907728892openalex-snapshot
QXP: Powerful, rapid computer algorithms for structure-based drug design
inferredcites →https://doi.org/10.1023/a:1007983320854openalex-snapshot
Alignment of flexible molecules at their receptor site using 3D descriptors and Hi-PCA
inferredcites →https://doi.org/10.1023/a:1008010016362openalex-snapshot
Comparative molecular field analysis and energy interaction studies of thrombin-inhibitor complexes
inferredcites →https://doi.org/10.1023/a:1008052320014openalex-snapshot
An extensive ecdysteroid CoMFA
inferredcites →https://doi.org/10.1023/a:1008194019144openalex-snapshot
Computational methods for the structural alignment of molecules
inferredcites →https://doi.org/10.1023/a:1008198211292openalex-snapshot
Homology model directed alignment selection for comparative molecular field analysis: Application to photosystem II inhibitors
inferredcites →https://doi.org/10.1023/a:1020155510718openalex-snapshot
A review of protein-small molecule docking methods
inferredcites →https://doi.org/10.1023/a:1020869118689openalex-snapshot
Predictive QSAR modeling based on diversity sampling of experimental datasets for the training and test set selection
inferredcites →https://doi.org/10.1023/a:1025366721142openalex-snapshot
Boosted leave-many-out cross-validation: the effect of training and test set diversity on PLS statistics
inferredcites →https://doi.org/10.1023/a:1025386326946openalex-snapshot
Rational selection of training and test sets for the development of validated QSAR models
inferredcites →https://doi.org/10.1023/b:jcam.0000047816.15514.abopenalex-snapshot
Docking-based CoMFA and CoMSIA studies of non-nucleoside reverse transcriptase inhibitors of the pyridinone derivative type
inferredcites →https://doi.org/10.1023/b:modi.0000006836.76687.8bopenalex-snapshot
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inferredcites →https://doi.org/10.1023/b:modi.0000047503.82461.e8openalex-snapshot
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inferredcites →https://doi.org/10.1038/314235a0openalex-snapshot
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inferredcites →https://doi.org/10.1038/nature02099openalex-snapshot
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inferredcites →https://doi.org/10.1038/nature04076openalex-snapshot
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inferredcites →https://doi.org/10.1038/nature04081openalex-snapshot
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inferredcites →https://doi.org/10.1038/nature04083openalex-snapshot
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inferredcites →https://doi.org/10.1038/nrd1129openalex-snapshot
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inferredcites →https://doi.org/10.1038/nrd1549openalex-snapshot
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inferredcites →https://doi.org/10.1053/j.gastro.2007.03.014openalex-snapshot
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inferredcites →https://doi.org/10.1053/j.gastro.2007.03.116openalex-snapshot
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inferredcites →https://doi.org/10.1053/jhep.2002.36791openalex-snapshot
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inferredcites →https://doi.org/10.1073/pnas.0408707102openalex-snapshot
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inferredcites →https://doi.org/10.1073/pnas.0408824102openalex-snapshot
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inferredcites →https://doi.org/10.1074/jbc.275.10.7152openalex-snapshot
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inferredcites →https://doi.org/10.1074/jbc.m610361200openalex-snapshot
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inferredcites →https://doi.org/10.1080/00401706.1969.10490666openalex-snapshot
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inferredcites →https://doi.org/10.1080/00401706.1984.10487928openalex-snapshot
Experimental Design: Review and Comment
inferredcites →https://doi.org/10.1080/01621459.1993.10476299openalex-snapshot
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inferredcites →https://doi.org/10.1080/10408340600969478openalex-snapshot
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inferredcites →https://doi.org/10.1099/0022-1317-81-7-1631openalex-snapshot
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inferredcites →https://doi.org/10.1099/vir.0.80401-0openalex-snapshot
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inferredcites →https://doi.org/10.1111/j.1747-0285.2006.00404.xopenalex-snapshot
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inferredcites →https://doi.org/10.1128/aac.50.3.1013-1020.2006openalex-snapshot
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inferredcites →https://doi.org/10.1128/jvi.67.5.2832-2843.1993openalex-snapshot
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inferredcites →https://doi.org/10.1128/jvi.67.7.3835-3844.1993openalex-snapshot
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inferredcites →https://doi.org/10.1128/jvi.67.7.4017-4026.1993openalex-snapshot
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inferredcites →https://doi.org/10.1136/bmj.1.328.421openalex-snapshot
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inferredcites →https://doi.org/10.1201/9780203913390.ch22openalex-snapshot
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inferredcites →https://doi.org/10.1214/ss/1028905828openalex-snapshot
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inferredcites →https://doi.org/10.1897/00-361openalex-snapshot
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inferredcites →https://doi.org/10.2174/1568012053507016openalex-snapshot
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inferredcites →https://doi.org/10.2174/1573409054367682openalex-snapshot
Scope and Limitation of Ligand Docking: Methods, Scoring Functions and Protein Targets
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