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Relative Binding Free Energy Calculations in Drug Discovery: Recent Advances and Practical Considerations

Journal of chemical information and modeling, 2017-12, Vol.57 (12), p.2911-2937

2017

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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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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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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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Dry Needling Versus Cortisone Injection in the Treatment of Greater Trochanteric Pain Syndrome: A Noninferiority Randomized Clinical Trial

The journal of orthopaedic and sports physical therapy, 2017-04, Vol.47 (4), p.232-239

2017

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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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Pre-Synaptic Pool Modification (PSPM): A supervised learning procedure for recurrent spiking neural networks

PloS one, 2020-02, Vol.15 (2), p.e0229083-e0229083

2020

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Sagittal mechanical ratio: A novel technique to define sagittal alignment of the femur independent of distal anatomic landmarks

The knee, 2023-01, Vol.40, p.192-200

2023

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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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Distribution of Subcutaneous Fat Around the Hip in Relation to Surgical Approach for Total Hip Arthroplasty

The Journal of arthroplasty, 2016-06, Vol.31 (6), p.1213-1217

2016

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BET bromodomain proteins are required for glioblastoma cell proliferation

Epigenetics, 2014-04, Vol.9 (4), p.611-620

2014

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Clinical Pathways of Patients Denied Total Knee Arthroplasty Due to an Institutional BMI Cutoff

The Journal of knee surgery, 2022-10, Vol.35 (12), p.1364-1369

2022

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Incision site fat thickness and 90-day complications for direct anterior and posterior approach total hip arthroplasty

Hip international, 2022-07, Vol.32 (4), p.431-437

2022

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Role of inflammatory markers in the preoperative evaluation of patients undergoing salvage total hip arthroplasty

Proceedings - Baylor University. Medical Center, 2022, Vol.35 (1), p.10-14

2022

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Acetabular cartilage thickness: accuracy of three-dimensional reconstructions from multidetector CT arthrograms in a cadaver study

Radiology, 2010-05, Vol.255 (2), p.544-552

2010

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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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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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Plateau–Patella Angle in Evaluation of Patellar Height After Total Knee Arthroplasty

The Journal of arthroplasty, 2014-07, Vol.29 (7), p.1394-1397

2014

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Predictive value of lateral soft tissue thickness for complications after total hip arthroplasty with a lateral incision

Proceedings - Baylor University. Medical Center, 2020-07, Vol.33 (3), p.336-341

2020

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Light Curve Analysis of Asteroid 22 Kalliope

Journal of student research (Houston, Tex.), 2022-08, Vol.11 (3)

2022

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Efficient algorithms for Monte Carlo particle transport on AI accelerator hardware

Computer physics communications, 2024-05, Vol.298, p.109072, Article 109072

2024

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On the effect of negative triangularity on ion temperature gradient turbulence in tokamaks

Physics of plasmas, 2023-10, Vol.30 (10)

2023

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Relative Binding Free Energy Calculations in Drug Discovery: Recent Advances and Practical Considerations

Rigorous Free Energy Simulations in Virtual Screening

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

Kinome-Wide Virtual Screening by Multi-Task Deep Learning

Improved Alchemical Free Energy Calculations with Optimized Smoothstep Softcore Potentials

Dry Needling Versus Cortisone Injection in the Treatment of Greater Trochanteric Pain Syndrome: A Noninferiority Randomized Clinical Trial

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

Pre-Synaptic Pool Modification (PSPM): A supervised learning procedure for recurrent spiking neural networks

Sagittal mechanical ratio: A novel technique to define sagittal alignment of the femur independent of distal anatomic landmarks

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

Distribution of Subcutaneous Fat Around the Hip in Relation to Surgical Approach for Total Hip Arthroplasty

BET bromodomain proteins are required for glioblastoma cell proliferation

Clinical Pathways of Patients Denied Total Knee Arthroplasty Due to an Institutional BMI Cutoff

Incision site fat thickness and 90-day complications for direct anterior and posterior approach total hip arthroplasty

Role of inflammatory markers in the preoperative evaluation of patients undergoing salvage total hip arthroplasty

Acetabular cartilage thickness: accuracy of three-dimensional reconstructions from multidetector CT arthrograms in a cadaver study

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

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

Plateau–Patella Angle in Evaluation of Patellar Height After Total Knee Arthroplasty

Predictive value of lateral soft tissue thickness for complications after total hip arthroplasty with a lateral incision

Light Curve Analysis of Asteroid 22 Kalliope

Efficient algorithms for Monte Carlo particle transport on AI accelerator hardware

On the effect of negative triangularity on ion temperature gradient turbulence in tokamaks

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