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OPLS4: Improving Force Field Accuracy on Challenging Regimes of Chemical Space

Journal of chemical theory and computation, 2021-07, Vol.17 (7), p.4291-4300

2021

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Rapid and accurate prediction and scoring of water molecules in protein binding sites

PloS one, 2012-03, Vol.7 (3), p.e32036

2012

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Waterdock 2.0: Water placement prediction for Holo-structures with a pymol plugin

PloS one, 2017-02, Vol.12 (2), p.e0172743-e0172743

2017

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Binding Modes of Ligands Using Enhanced Sampling (BLUES): Rapid Decorrelation of Ligand Binding Modes via Nonequilibrium Candidate Monte Carlo

The journal of physical chemistry. B, 2018-05, Vol.122 (21), p.5579-5598

2018

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The maximal and current accuracy of rigorous protein-ligand binding free energy calculations

Communications chemistry, 2023-10, Vol.6 (1), p.222-222, Article 222

2023

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Water Sites, Networks, And Free Energies with Grand Canonical Monte Carlo

Journal of the American Chemical Society, 2015-12, Vol.137 (47), p.14930-14943

2015

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Enhancing Water Sampling in Free Energy Calculations with Grand Canonical Monte Carlo

Journal of chemical theory and computation, 2020-10, Vol.16 (10), p.6061-6076

2020

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Biomolecular Simulations under Realistic Macroscopic Salt Conditions

The journal of physical chemistry. B, 2018-05, Vol.122 (21), p.5466-5486

2018

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Ligand Binding Free Energies with Adaptive Water Networks: Two-Dimensional Grand Canonical Alchemical Perturbations

Journal of chemical theory and computation, 2018-12, Vol.14 (12), p.6586-6597

2018

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One Size Does Not Fit All: The Limits of Structure-Based Models in Drug Discovery

Journal of chemical theory and computation, 2013-09, Vol.9 (9), p.4266-4274

2013

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Replica-Exchange and Standard State Binding Free Energies with Grand Canonical Monte Carlo

Journal of chemical theory and computation, 2017-12, Vol.13 (12), p.6373-6381

2017

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Inhaled nitric oxide induced NOS inhibition and rebound pulmonary hypertension: a role for superoxide and peroxynitrite in the intact lamb

American journal of physiology. Lung cellular and molecular physiology, 2006-02, Vol.290 (2), p.L359-L366

2006

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An intra-aortic guide wire: what "knot" to do

Cardiology in the young, 2020-02, Vol.30 (2), p.273-274

2020

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Purpura fulminans caused by community-associated methicillin-resistant Staphylococcus aureus

The American journal of emergency medicine, 2012-07, Vol.30 (6), p.1013.e1-1013.e4

2012

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Large-scale analysis of water stability in bromodomain binding pockets with grand canonical Monte Carlo

Communications chemistry, 2018-04, Vol.1 (1), Article 19

2018

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Oseltamivir‐resistant 2009 H1N1 influenza pneumonia during therapy in a renal transplant recipient

Pediatric transplantation, 2012-08, Vol.16 (5), p.E153-E157

2012

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Emergence of smooth muscle cell endothelin B-mediated vasoconstriction in lambs with experimental congenital heart disease and increased pulmonary blood flow

Circulation (New York, N.Y.), 2003-09, Vol.108 (13), p.1646-1654

2003

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Endothelial alterations during inhaled NO in lambs with pulmonary hypertension: implications for rebound hypertension

American journal of physiology. Lung cellular and molecular physiology, 2005-01, Vol.288 (1), p.L27-L35

2005

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Tezosentan, a combined parenteral endothelin receptor antagonist, produces pulmonary vasodilation in lambs with acute and chronic pulmonary hypertension

Pediatric critical care medicine, 2004-11, Vol.5 (6), p.571-577

2004

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Pediatric Critical Care, 3rd ed

Anesthesia and analgesia, 2006-10, Vol.103 (4), p.1064-1065

Ross, Gregory A.

2006

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A comparison of cardiac rate-pressure product and pressure-rate quotient with Holter monitoring in patients with hypertension and cardiovascular disease

Oral surgery, oral medicine, oral pathology, oral radiology and endodontics, 1997-08, Vol.84 (2), p.125-128

1997

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Improving rapid affinity calculations for drug-protein interactions

Ross, Gregory A

2013

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Improving rapid affinity calculations for drug-protein interactions

Ross, Gregory A

2013

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ALTERATIONS IN ENDOTHELIAL FUNCTION DURING INHALED NITRIC OXIDE (INO) IN LAMBS WITH INCREASED PULMONARY BLOOD FLOW: 3

Critical care medicine, 2002-12, Vol.30 (Supplement), p.A1

2002

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Endothelial alterations during inhaled NO in lambs with pulmonary hypertension: implications for rebound hypertension

American journal of physiology. Lung cellular and molecular physiology, 2005, Vol.32 (1), p.L27-L35

2005

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OPLS4: Improving Force Field Accuracy on Challenging Regimes of Chemical Space

Rapid and accurate prediction and scoring of water molecules in protein binding sites

Waterdock 2.0: Water placement prediction for Holo-structures with a pymol plugin

Binding Modes of Ligands Using Enhanced Sampling (BLUES): Rapid Decorrelation of Ligand Binding Modes via Nonequilibrium Candidate Monte Carlo

The maximal and current accuracy of rigorous protein-ligand binding free energy calculations

Water Sites, Networks, And Free Energies with Grand Canonical Monte Carlo

Enhancing Water Sampling in Free Energy Calculations with Grand Canonical Monte Carlo

Biomolecular Simulations under Realistic Macroscopic Salt Conditions

Ligand Binding Free Energies with Adaptive Water Networks: Two-Dimensional Grand Canonical Alchemical Perturbations

One Size Does Not Fit All: The Limits of Structure-Based Models in Drug Discovery

Replica-Exchange and Standard State Binding Free Energies with Grand Canonical Monte Carlo

Inhaled nitric oxide induced NOS inhibition and rebound pulmonary hypertension: a role for superoxide and peroxynitrite in the intact lamb

An intra-aortic guide wire: what "knot" to do

Purpura fulminans caused by community-associated methicillin-resistant Staphylococcus aureus

Large-scale analysis of water stability in bromodomain binding pockets with grand canonical Monte Carlo

Oseltamivir‐resistant 2009 H1N1 influenza pneumonia during therapy in a renal transplant recipient

Emergence of smooth muscle cell endothelin B-mediated vasoconstriction in lambs with experimental congenital heart disease and increased pulmonary blood flow

Endothelial alterations during inhaled NO in lambs with pulmonary hypertension: implications for rebound hypertension

Tezosentan, a combined parenteral endothelin receptor antagonist, produces pulmonary vasodilation in lambs with acute and chronic pulmonary hypertension

Pediatric Critical Care, 3rd ed

A comparison of cardiac rate-pressure product and pressure-rate quotient with Holter monitoring in patients with hypertension and cardiovascular disease

Improving rapid affinity calculations for drug-protein interactions

Improving rapid affinity calculations for drug-protein interactions

ALTERATIONS IN ENDOTHELIAL FUNCTION DURING INHALED NITRIC OXIDE (INO) IN LAMBS WITH INCREASED PULMONARY BLOOD FLOW: 3

Endothelial alterations during inhaled NO in lambs with pulmonary hypertension: implications for rebound hypertension

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