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Kinome-Wide Virtual Screening by Multi-Task Deep Learning

International journal of molecular sciences, 2024-02, Vol.25 (5), p.2538

2024

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Rigorous Free Energy Simulations in Virtual Screening

Journal of chemical information and modeling, 2020-09, Vol.60 (9), p.4153-4169

2020

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Alchemical Binding Free Energy Calculations in AMBER20: Advances and Best Practices for Drug Discovery

Journal of chemical information and modeling, 2020-11, Vol.60 (11), p.5595-5623

2020

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Identification of a Novel Class of BRD4 Inhibitors by Computational Screening and Binding Simulations

ACS omega, 2017-08, Vol.2 (8), p.4760-4771

2017

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Improved Alchemical Free Energy Calculations with Optimized Smoothstep Softcore Potentials

Journal of chemical theory and computation, 2020-09, Vol.16 (9), p.5512-5525

2020

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Precise Binding Free Energy Calculations for Multiple Molecules Using an Optimal Measurement Network of Pairwise Differences

Journal of chemical theory and computation, 2022-02, Vol.18 (2), p.650-663

2022

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Large-Scale Computational Screening Identifies First in Class Multitarget Inhibitor of EGFR Kinase and BRD4

Scientific reports, 2015-11, Vol.5 (1), p.16924-16924, Article 16924

2015

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Epigenetic Pathways and Glioblastoma Treatment: Insights From Signaling Cascades

Journal of cellular biochemistry, 2015-03, Vol.116 (3), p.351-363

2015

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Comprehensive Analysis of Tissue-wide Gene Expression and Phenotype Data Reveals Tissues Affected in Rare Genetic Disorders

Cell systems, 2017-08, Vol.5 (2), p.140-148.e2

2017

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Abstract LB-A20: True small molecule STING agonist generates systemic and potent anti-tumor immunity required for effective cancer immunotherapy

Molecular cancer therapeutics, 2019-12, Vol.18 (12_Supplement), p.LB-A20-LB-A20

2019

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Large-scale computational screening and machine learning approaches to drug discovery

Allen, Bryce K

2016

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Evaluation of cell-free DNA approaches for multi-cancer early detection

Cancer cell, 2022-12, Vol.40 (12), p.1537-1549.e12

2022

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American Society of Interventional Pain Physicians (ASIPP) guidelines for responsible opioid prescribing in chronic non-cancer pain: Part 2--guidance

Pain physician, 2012-07, Vol.15 (3 Suppl), p.S67-S116

2012

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Drop That Activation Energy: Tetragonal to Cubic Transformations in Na 3 PS 4− x Se x for Solid State Sodium Ion Battery Materials

Advanced functional materials, 2024-03, Vol.34 (13)

2024

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Drop That Activation Energy: Tetragonal to Cubic Transformations in Na3PS4−xSex for Solid State Sodium Ion Battery Materials

Advanced functional materials, 2024-03, Vol.34 (13)

2024

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American Society of Interventional Pain Physicians (ASIPP) guidelines for responsible opioid prescribing in chronic non-cancer pain: Part I--evidence assessment

Pain physician, 2012-07, Vol.15 (3 Suppl), p.S1-S66

2012

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Assessment of Cognitive Function Prior to and After Implantation of Left Ventricular Assist Device

The Journal of heart and lung transplantation, 2016-04, Vol.35 (4), p.S165-S166

2016

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Risk of Death or Rehospitalization After LVAD and Baseline Cognitive Status

The Journal of heart and lung transplantation, 2016-04, Vol.35 (4), p.S126-S127

2016

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Outcome measures in spinal cord injury: recent assessments and recommendations for future directions

Spinal cord, 2009-08, Vol.47 (8), p.582-591

2009

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Video Atlas of Spine Surgery

1, 2020

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Anastomosing hemangioma of liver

Journal of radiology case reports, 2019-06, Vol.13 (6), p.32-39

2019

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Preclinical Pharmacology of CW002: A Nondepolarizing Neuromuscular Blocking Drug of Intermediate Duration, Degraded and Antagonized by l-cysteine—Additional Studies of Safety and Efficacy in the Anesthetized Rhesus Monkey and Cat

Anesthesiology (Philadelphia), 2016-10, Vol.125 (4), p.732-743

2016

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Kinome-Wide Virtual Screening by Multi-Task Deep Learning

Rigorous Free Energy Simulations in Virtual Screening

Alchemical Binding Free Energy Calculations in AMBER20: Advances and Best Practices for Drug Discovery

Identification of a Novel Class of BRD4 Inhibitors by Computational Screening and Binding Simulations

Improved Alchemical Free Energy Calculations with Optimized Smoothstep Softcore Potentials

Data Portal for the Library of Integrated Network-based Cellular Signatures (LINCS) program: integrated access to diverse large-scale cellular perturbation response data

Precise Binding Free Energy Calculations for Multiple Molecules Using an Optimal Measurement Network of Pairwise Differences

Large-Scale Computational Screening Identifies First in Class Multitarget Inhibitor of EGFR Kinase and BRD4

Epigenetic Pathways and Glioblastoma Treatment: Insights From Signaling Cascades

Comprehensive Analysis of Tissue-wide Gene Expression and Phenotype Data Reveals Tissues Affected in Rare Genetic Disorders

Abstract LB-A20: True small molecule STING agonist generates systemic and potent anti-tumor immunity required for effective cancer immunotherapy

Large-scale computational screening and machine learning approaches to drug discovery

Evaluation of cell-free DNA approaches for multi-cancer early detection

American Society of Interventional Pain Physicians (ASIPP) guidelines for responsible opioid prescribing in chronic non-cancer pain: Part 2--guidance

Drop That Activation Energy: Tetragonal to Cubic Transformations in Na 3 PS 4− x Se x for Solid State Sodium Ion Battery Materials

Drop That Activation Energy: Tetragonal to Cubic Transformations in Na3PS4−xSex for Solid State Sodium Ion Battery Materials

American Society of Interventional Pain Physicians (ASIPP) guidelines for responsible opioid prescribing in chronic non-cancer pain: Part I--evidence assessment

Discovery of 4-(5-Methyloxazolo[4,5-b]pyridin-2-yl)-1,4-diazabicyclo[3.2.2]nonane (CP-810,123), a Novel α7 Nicotinic Acetylcholine Receptor Agonist for the Treatment of Cognitive Disorders in Schizophrenia: Synthesis, SAR Development, and in Vivo Efficacy in Cognition Models

Assessment of Cognitive Function Prior to and After Implantation of Left Ventricular Assist Device

Discovery of 4-(5-methyloxazolo[4,5-b]pyridin-2-yl)-1,4-diazabicyclo[3.2.2]nonane (CP-810,123), a novel alpha 7 nicotinic acetylcholine receptor agonist for the treatment of cognitive disorders in schizophrenia: synthesis, SAR development, and in vivo efficacy in cognition models

Risk of Death or Rehospitalization After LVAD and Baseline Cognitive Status

Outcome measures in spinal cord injury: recent assessments and recommendations for future directions

Video Atlas of Spine Surgery

Anastomosing hemangioma of liver

Preclinical Pharmacology of CW002: A Nondepolarizing Neuromuscular Blocking Drug of Intermediate Duration, Degraded and Antagonized by l-cysteine—Additional Studies of Safety and Efficacy in the Anesthetized Rhesus Monkey and Cat

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