Author of the publication

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

OPLS3: A Force Field Providing Broad Coverage of Drug-like Small Molecules and Proteins

E. Harder, W. Damm, J. Maple, C. Wu, M. Reboul, J. Xiang, L. Wang, D. Lupyan, M. Dahlgren, J. Knight, J. Kaus, D. Cerutti, G. Krilov, W. Jorgensen, R. Abel, and R. Friesner. Journal of Chemical Theory and Computation, 12 (1): 281-296 (2016)PMID: 26584231.
DOI: 10.1021/acs.jctc.5b00864

Please choose a person to relate this publication to

To differ between persons with the same name, the academic degree and the title of an important publication will be displayed. You can also use the button next to the name to display some publications already assigned to the person.

Kees Abel

Gisela Abel

Reinhard Abel

Heike Abel

Bernd Abel

Other publications of authors with the same name

Four paths to computer animation: entertainment, broadcast, education and science - will their future converge? (panel session).R. Abel, J. Blinn, C. Rosendahl, and C. Upson. SIGGRAPH, page 347. ACM, (1988)Application of Free Energy Perturbation (FEP+) to Understanding Ligand Selectivity: A Case Study to Assess Selectivity Between Pairs of Phosphodiesterases (PDE's).F. Moraca, A. Negri, C. de Oliveira, and R. Abel. J. Chem. Inf. Model., 59 (6): 2729-2740 (2019)Is Structure-Based Drug Design Ready for Selectivity Optimization?S. Albanese, J. Chodera, A. Volkamer, S. Keng, R. Abel, and L. Wang. J. Chem. Inf. Model., 60 (12): 6211-6227 (2020)Docking Covalent Inhibitors: A Parameter Free Approach To Pose Prediction and Scoring.K. Zhu, K. Borrelli, J. Greenwood, T. Day, R. Abel, R. Farid, and E. Harder. Journal of Chemical Information and Modeling, 54 (7): 1932-1940 (2014)Accurate Binding Free Energy Predictions in Fragment Optimization.T. Steinbrecher, M. Dahlgren, D. Cappel, T. Lin, L. Wang, G. Krilov, R. Abel, R. Friesner, and W. Sherman. J. Chem. Inf. Model., 55 (11): 2411-2420 (2015)Accurate and Reliable Prediction of Relative Ligand Binding Potency in Prospective Drug Discovery by Way of a Modern Free-Energy Calculation Protocol and Force FieldL. Wang, Y. Wu, Y. Deng, B. Kim, L. Pierce, G. Krilov, D. Lupyan, S. Robinson, M. Dahlgren, J. Greenwood and 19 other author(s). Journal of the American Chemical Society, (2015)Toward Atomistic Modeling of Irreversible Covalent Inhibitor Binding Kinetics.H. Yu, C. Gao, D. Lupyan, Y. Wu, T. Kimura, C. Wu, L. Jacobson, E. Harder, R. Abel, and L. Wang. J. Chem. Inf. Model., 59 (9): 3955-3967 (2019)OPLS3: A Force Field Providing Broad Coverage of Drug-like Small Molecules and ProteinsE. Harder, W. Damm, J. Maple, C. Wu, M. Reboul, J. Xiang, L. Wang, D. Lupyan, M. Dahlgren, J. Knight and 6 other author(s). Journal of Chemical Theory and Computation, 12 (1): 281-296 (2016)PMID: 26584231.Schrödinger-ANI: An Eight-Element Neural Network Interaction Potential with Greatly Expanded Coverage of Druglike Chemical Space.J. Stevenson, L. Jacobson, Y. Zhao, C. Wu, J. Maple, K. Leswing, E. Harder, and R. Abel. CoRR, (2019)How To Deal with Multiple Binding Poses in Alchemical Relative Protein -- Ligand Binding Free Energy CalculationsJ. Kaus, E. Harder, T. Lin, R. Abel, J. Mccammon, and L. Wang. Journal of Chemical Theory and Computation, (2015)

BibSonomy

Disambiguation of "Abel, Robert"

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

OPLS3: A Force Field Providing Broad Coverage of Drug-like Small Molecules and Proteins

Please choose a person to relate this publication to

Kees Abel

Gisela Abel

Reinhard Abel

Heike Abel

Bernd Abel

Other publications of authors with the same name

Disambiguation

BibSonomy

Disambiguation of "Abel, Robert"

copydeleteadd this publication to your clipboardcommunity posthistory of this postURLDOIBibTeXEndNoteAPAChicagoDIN 1505HarvardMSOffice XML OPLS3: A Force Field Providing Broad Coverage of Drug-like Small Molecules and Proteins

Please choose a person to relate this publication to

Kees Abel

Gisela Abel

Reinhard Abel

Heike Abel

Bernd Abel

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

OPLS3: A Force Field Providing Broad Coverage of Drug-like Small Molecules and Proteins