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D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.

Z. Gaieb, S. Liu, S. Gathiaka, M. Chiu, H. Yang, C. Shao, V. Feher, W. Walters, B. Kuhn, M. Rudolph, S. Burley, M. Gilson, and R. Amaro. J. Comput. Aided Mol. Des., 32 (1): 1-20 (2018)

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Patrick W Ruch

Hellmut Walters

Bernd Walters

Evelyn Walters

Ludwig Walters

Other publications of authors with the same name

Modeling & Informatics at Vertex Pharmaceuticals Incorporated: our philosophy for sustained impact.G. McGaughey, and W. Walters. J. Comput. Aided Mol. Des., 31 (3): 293-300 (2017)SIML: A Fast SIMD Algorithm for Calculating LINGO Chemical Similarities on GPUs and CPUs.I. Haque, V. Pande, and W. Walters. Journal of Chemical Information and Modeling, 50 (4): 560-564 (2010)Understanding covariate shift in model performance.G. McGaughey, W. Walters, and B. Goldman. F1000Research, (2016)Modeling, Informatics, and the Quest for Reproducibility.W. Walters. J. Chem. Inf. Model., 53 (7): 1529-1530 (2013)Filtering databases and chemical libraries.P. Charifson, and W. Walters. J. Comput. Aided Mol. Des., 16 (5-6): 311-323 (2002)D3R grand challenge 2015: Evaluation of protein-ligand pose and affinity predictions.S. Gathiaka, S. Liu, M. Chiu, H. Yang, J. Stuckey, Y. Kang, J. Delproposto, G. Kubish, J. Jr., H. Carlson and 5 other author(s). J. Comput. Aided Mol. Des., 30 (9): 651-668 (2016)Thompson Sampling─An Efficient Method for Searching Ultralarge Synthesis on Demand Databases.K. Klarich, B. Goldman, T. Kramer, P. Riley, and W. Walters. J. Chem. Inf. Model., 64 (4): 1158-1171 (February 2024)New Trends in Virtual Screening.W. Walters, and R. Wang. J. Chem. Inf. Model., 60 (9): 4109-4111 (2020)Alpha shock.M. Murcko, and W. Walters. J. Comput. Aided Mol. Des., 26 (1): 97-102 (2012)D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.Z. Gaieb, S. Liu, S. Gathiaka, M. Chiu, H. Yang, C. Shao, V. Feher, W. Walters, B. Kuhn, M. Rudolph and 3 other author(s). J. Comput. Aided Mol. Des., 32 (1): 1-20 (2018)

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Disambiguation of "Walters, W. Patrick"

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D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.

Please choose a person to relate this publication to

Patrick W Ruch

Hellmut Walters

Bernd Walters

Evelyn Walters

Ludwig Walters

Other publications of authors with the same name

Disambiguation

BibSonomy

Disambiguation of "Walters, W. Patrick"

copydeleteadd this publication to your clipboardcommunity posthistory of this postURLDOIBibTeXEndNoteAPAChicagoDIN 1505HarvardMSOffice XML D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.

Please choose a person to relate this publication to

Patrick W Ruch

Hellmut Walters

Bernd Walters

Evelyn Walters

Ludwig Walters

Other publications of authors with the same name

Disambiguation

copy delete add this publication to your clipboard
community post
history of this post
URL
DOI
BibTeX
EndNote
APA
Chicago
DIN 1505
Harvard
MSOffice XML

D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.