OPLS4: Improving Force Field Accuracy on Challenging Regimes of Chemical Space von Lu, Chao, Wu, Chuanjie, Ghoreishi, Delaram, Chen, Wei, Wang, Lingle, Damm, Wolfgang, Ross, Gregory A, Dahlgren, Markus K, Russell, Ellery, Von Bargen, Christopher D, Abel, Robert, Friesner, Richard A, Harder, Edward D

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Rapid and accurate prediction and scoring of water molecules in protein binding sites von Ross, Gregory A, Morris, Garrett M, Biggin, Philip C

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Waterdock 2.0: Water placement prediction for Holo-structures with a pymol plugin von Sridhar, Akshay, Ross, Gregory A, Biggin, Philip C

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Binding Modes of Ligands Using Enhanced Sampling (BLUES): Rapid Decorrelation of Ligand Binding Modes via Nonequilibrium Candidate Monte Carlo von Gill, Samuel C, Lim, Nathan M, Grinaway, Patrick B, Rustenburg, Ariën S, Fass, Josh, Ross, Gregory A, Chodera, John D, Mobley, David L

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The maximal and current accuracy of rigorous protein-ligand binding free energy calculations von Ross, Gregory A., Lu, Chao, Scarabelli, Guido, Albanese, Steven K., Houang, Evelyne, Abel, Robert, Harder, Edward D., Wang, Lingle

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Water Sites, Networks, And Free Energies with Grand Canonical Monte Carlo von Ross, Gregory A, Bodnarchuk, Michael S, Essex, Jonathan W

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Enhancing Water Sampling in Free Energy Calculations with Grand Canonical Monte Carlo von Ross, Gregory A, Russell, Ellery, Deng, Yuqing, Lu, Chao, Harder, Edward D, Abel, Robert, Wang, Lingle

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Biomolecular Simulations under Realistic Macroscopic Salt Conditions von Ross, Gregory A, Rustenburg, Ariën S, Grinaway, Patrick B, Fass, Josh, Chodera, John D

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Ligand Binding Free Energies with Adaptive Water Networks: Two-Dimensional Grand Canonical Alchemical Perturbations von Bruce Macdonald, Hannah E, Cave-Ayland, Christopher, Ross, Gregory A, Essex, Jonathan W

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One Size Does Not Fit All: The Limits of Structure-Based Models in Drug Discovery von Ross, Gregory A, Morris, Garrett M, Biggin, Philip C

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Replica-Exchange and Standard State Binding Free Energies with Grand Canonical Monte Carlo von Ross, Gregory A, Bruce Macdonald, Hannah E, Cave-Ayland, Christopher, Cabedo Martinez, Ana I, Essex, Jonathan W

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Inhaled nitric oxide induced NOS inhibition and rebound pulmonary hypertension: a role for superoxide and peroxynitrite in the intact lamb von Oishi, Peter, Grobe, Albert, Benavidez, Eileen, Ovadia, Boaz, Harmon, Cynthia, Ross, Gregory A, Hendricks-Munoz, Karen, Xu, Jie, Black, Stephen M, Fineman, Jeffrey R

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An intra-aortic guide wire: what "knot" to do von Ootaki, Yoshio, Ross, Gregory A, Zeller, Kristen A

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Purpura fulminans caused by community-associated methicillin-resistant Staphylococcus aureus von Fitzgerald, Casimir J., MD, Pranikoff, Thomas V., MD, Ross, Gregory A., MD, Mou, Steven, MD, Givner, Laurence B., MD, Shetty, Avinash K., MD

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Large-scale analysis of water stability in bromodomain binding pockets with grand canonical Monte Carlo von Aldeghi, Matteo, Ross, Gregory A., Bodkin, Michael J., Essex, Jonathan W., Knapp, Stefan, Biggin, Philip C.

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Oseltamivir‐resistant 2009 H1N1 influenza pneumonia during therapy in a renal transplant recipient von Shetty, Avinash K., Ross, Gregory A., Pranikoff, Thomas, Gubareva, Larissa V., Sechrist, Catherine, Guirand, Derek M., Abramson, Jon, Lin, Jen‐Jar

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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 von BLACK, Stephen M, MATA-GREENWOOD, Eugenia, ROSS, Gregory A, BEKKER, Janine M, JOHENGEN, Michael J, FINEMAN, Jeffrey R, DETTMAN, Robert W, OVADIA, Boaz, FITZGERALD, Robert K, REINHARTZ, Olaf, THELITZ, Stefan, STEINHORN, Robin H, GERRETS, Rene, HENDRICKS-MUNOZ, Karen

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Endothelial alterations during inhaled NO in lambs with pulmonary hypertension: implications for rebound hypertension von Ross, Gregory A, Oishi, Peter, Azakie, Anthony, Fratz, Sohrab, Fitzgerald, Robert K, Johengen, Michael J, Harmon, Cynthia, Hendricks-Munoz, Karen, Xu, Jie, Black, Stephen M, Fineman, Jeffrey R

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Tezosentan, a combined parenteral endothelin receptor antagonist, produces pulmonary vasodilation in lambs with acute and chronic pulmonary hypertension von Fitzgerald, Robert K, Oishi, Peter, Ovadia, Boaz, Ross, Gregory A, Reinhartz, Olaf, Johengen, Michael J, Fineman, Jeffrey R

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Pediatric Critical Care, 3rd ed von Ross, Gregory A.

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