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POSIT: Flexible Shape-Guided Docking For Pose Prediction

Journal of chemical information and modeling, 2015-08, Vol.55 (8), p.1771-1780

2015

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Current and Future Roles of Artificial Intelligence in Medicinal Chemistry Synthesis

Journal of medicinal chemistry, 2020-08, Vol.63 (16), p.8667-8682

2020

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Rapid Estimation of Relative Protein−Ligand Binding Affinities Using a High-Throughput Version of MM-PBSA

Journal of chemical information and modeling, 2007-07, Vol.47 (4), p.1493-1503

2007

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Novel human D-amino acid oxidase inhibitors stabilize an active-site lid-open conformation

Bioscience reports, 2014-08, Vol.34 (4), p.e00133

2014

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Molecular Shape and Medicinal Chemistry: A Perspective

Journal of medicinal chemistry, 2010-05, Vol.53 (10), p.3862-3886

2010

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Large-Scale Application of High-Throughput Molecular Mechanics with Poisson−Boltzmann Surface Area for Routine Physics-Based Scoring of Protein−Ligand Complexes

Journal of medicinal chemistry, 2009-05, Vol.52 (10), p.3159-3165

2009

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Effects of Conformational Dynamics on Predicted Protein Druggability

ChemMedChem, 2006-01, Vol.1 (1), p.70-72

2006

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Healthy skepticism: assessing realistic model performance

Drug discovery today, 2009-04, Vol.14 (7), p.420-427

2009

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The evolution of library design: crafting smart compound collections for phenotypic screens

Drug discovery today. Technologies, 2017-03, Vol.23, p.61-67

2017

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Synthesis and Evaluation of Benzothiazole-Based Analogues as Novel, Potent, and Selective Fatty Acid Amide Hydrolase Inhibitors

Journal of medicinal chemistry, 2009-01, Vol.52 (1), p.170-180

2009

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Application of Belief Theory to Similarity Data Fusion for Use in Analog Searching and Lead Hopping

Journal of Chemical Information and Modeling, 2008-05, Vol.48 (5), p.941-948

2008

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A Unified, Probabilistic Framework for Structure- and Ligand-Based Virtual Screening

Journal of medicinal chemistry, 2011-03, Vol.54 (5), p.1223-1232

2011

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High-Throughput Calculation of Protein−Ligand Binding Affinities: Modification and Adaptation of the MM-PBSA Protocol to Enterprise Grid Computing

Journal of chemical information and modeling, 2006-05, Vol.46 (3), p.999-1005

2006

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Contrasting Disease and Nondisease Protein Aggregation by Molecular Simulation

Accounts of chemical research, 2008-08, Vol.41 (8), p.1037-1047

2008

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Corrections to Large-Scale Application of High-Throughput Molecular Mechanics with Poisson−Boltzmann Surface Area for Routine Physics-Based Scoring of Protein−Ligand Complexes

Journal of medicinal chemistry, 2009-07, Vol.52 (14), p.4549-4549

2009

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Chikungunya in Jamaica – Public Health Effects and Clinical Features in Children

West Indian medical journal, 2016-01

2016

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Prescribing flexibility through prescription compounding

Techniques in regional anesthesia & pain management, 2008-04, Vol.12 (2), p.119-121

Brown, Scott, PD

2008

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Rapid Estimation of Relative Protein-Ligand Binding Affinities Using a High-Throughput Version of MM-PBSA

ChemInform, 2007-10, Vol.38 (40), p.no-no

2007

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High-Throughput Calculation of Protein-Ligand Binding Affinities: Modification and Adaptation of the MM-PBSA Protocol to Enterprise Grid Computing

ChemInform, 2006-07, Vol.37 (30), p.no-no

2006

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A review of the challenges and opportunities for restoring animal-mediated pollination of native plants

Emerging topics in life sciences, 2020-06, Vol.4 (1), p.99-109

2020

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The Quality of Response Time Data Inference: A Blinded, Collaborative Assessment of the Validity of Cognitive Models

Psychonomic bulletin & review, 2019-08, Vol.26 (4), p.1051-1069

2019

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Thrombectomy for anterior circulation stroke beyond 6 h from time last known well (AURORA): a systematic review and individual patient data meta-analysis

The Lancet (British edition), 2022-01, Vol.399 (10321), p.249-258

2022

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Trial of Thrombectomy 6 to 24 Hours after Stroke Due to Basilar-Artery Occlusion

The New England journal of medicine, 2022-10, Vol.387 (15), p.1373-1384

2022

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Mothers' Perceptions of How Homelessness and Housing Interventions Affect Their Children's Behavioral and Educational Functioning

American journal of orthopsychiatry, 2023-01, Vol.93 (3), p.225-235

2023

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POSIT: Flexible Shape-Guided Docking For Pose Prediction

Current and Future Roles of Artificial Intelligence in Medicinal Chemistry Synthesis

Rapid Estimation of Relative Protein−Ligand Binding Affinities Using a High-Throughput Version of MM-PBSA

Novel human D-amino acid oxidase inhibitors stabilize an active-site lid-open conformation

Molecular Shape and Medicinal Chemistry: A Perspective

Large-Scale Application of High-Throughput Molecular Mechanics with Poisson−Boltzmann Surface Area for Routine Physics-Based Scoring of Protein−Ligand Complexes

Effects of Conformational Dynamics on Predicted Protein Druggability

Healthy skepticism: assessing realistic model performance

The evolution of library design: crafting smart compound collections for phenotypic screens

Synthesis and Evaluation of Benzothiazole-Based Analogues as Novel, Potent, and Selective Fatty Acid Amide Hydrolase Inhibitors

Application of Belief Theory to Similarity Data Fusion for Use in Analog Searching and Lead Hopping

A Unified, Probabilistic Framework for Structure- and Ligand-Based Virtual Screening

High-Throughput Calculation of Protein−Ligand Binding Affinities: Modification and Adaptation of the MM-PBSA Protocol to Enterprise Grid Computing

Contrasting Disease and Nondisease Protein Aggregation by Molecular Simulation

Corrections to Large-Scale Application of High-Throughput Molecular Mechanics with Poisson−Boltzmann Surface Area for Routine Physics-Based Scoring of Protein−Ligand Complexes

Chikungunya in Jamaica – Public Health Effects and Clinical Features in Children

Prescribing flexibility through prescription compounding

Rapid Estimation of Relative Protein-Ligand Binding Affinities Using a High-Throughput Version of MM-PBSA

High-Throughput Calculation of Protein-Ligand Binding Affinities: Modification and Adaptation of the MM-PBSA Protocol to Enterprise Grid Computing

A review of the challenges and opportunities for restoring animal-mediated pollination of native plants

The Quality of Response Time Data Inference: A Blinded, Collaborative Assessment of the Validity of Cognitive Models

Thrombectomy for anterior circulation stroke beyond 6 h from time last known well (AURORA): a systematic review and individual patient data meta-analysis

Trial of Thrombectomy 6 to 24 Hours after Stroke Due to Basilar-Artery Occlusion

Mothers' Perceptions of How Homelessness and Housing Interventions Affect Their Children's Behavioral and Educational Functioning

Risk stratification of patients admitted to hospital with covid-19 using the ISARIC WHO Clinical Characterisation Protocol: development and validation of the 4C Mortality Score

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