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Abel, Robert
1966  results:
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1

Enabling structure-based drug discovery utilizing predicted..:

Miller, Edward B. ; Hwang, Howook ; Shelley, Mee...
Cell.  187 (2024)  3 - p. 521-525 , 2024
Link: https://doi.org/10.1016/..
 
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2

Discovery of a Potent and Selective Tyrosine Kinase 2 Inhib..:

Leit, Silvana ; Greenwood, Jeremy ; Carriero, Samantha...
Journal of Medicinal Chemistry.  66 (2023)  15 - p. 10473-10496 , 2023
Link: https://doi.org/10.1021/..
 
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3

Advancing drug discovery with accurate and reliable protein..:

Wang, Lingle ; Chen, Wei ; Ross, Gregory...
Biophysical Journal.  122 (2023)  3 - p. 325a-326a , 2023
Link: https://doi.org/10.1016/..
 
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4

Quantitatively Accounting for Protein Reorganization in Com..:

Fajer, Mikolai ; Borrelli, Ken ; Abel, Robert.
Journal of Chemical Theory and Computation.  19 (2023)  11 - p. 3080-3090 , 2023
Link: https://doi.org/10.1021/..
 
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5

FEP Protocol Builder: Optimization of Free Energy Perturbat..:

de Oliveira, César ; Leswing, Karl ; Feng, Shulu...
Journal of Chemical Information and Modeling.  63 (2023)  17 - p. 5592-5603 , 2023
Link: https://doi.org/10.1021/..
 
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6

RF efficiency measurements of inductively-coupled plasma H−..:

Lawrie, Scott ; Abel, Robert ; Sarmento, Tiago...
Journal of Physics D: Applied Physics.  56 (2023)  8 - p. 085202 , 2023
Link: https://doi.org/10.1088/..
 
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7

The maximal and current accuracy of rigorous protein-ligand..:

Ross, Gregory A. ; Lu, Chao ; Scarabelli, Guido...
Communications Chemistry.  6 (2023)  1 - p. , 2023
Link: https://doi.org/10.1038/..
 
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8

Enhancing Hit Discovery in Virtual Screening through Absolu..:

Chen, Wei ; Cui, Di ; Jerome, Steven V....
Journal of Chemical Information and Modeling.  63 (2023)  10 - p. 3171-3185 , 2023
Link: https://doi.org/10.1021/..
 
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9

Free Energy Perturbation Approach for Accurate Crystalline ..:

Hong, Richard S. ; Rojas, Ana V. ; Bhardwaj, Rajni Miglani...
Journal of Medicinal Chemistry.  66 (2023)  23 - p. 15883-15893 , 2023
Link: https://doi.org/10.1021/..
 
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10

The Impact of Experimental and Calculated Error on the Perf..:

Tresadern, Gary ; Tatikola, Kanaka ; Cabrera, Javier...
Journal of Chemical Information and Modeling.  62 (2022)  3 - p. 703-717 , 2022
Link: https://doi.org/10.1021/..
 
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11

High-Dimensional Neural Network Potential for Liquid Electr..:

Dajnowicz, Steven ; Agarwal, Garvit ; Stevenson, James M....
The Journal of Physical Chemistry B.  126 (2022)  33 - p. 6271-6280 , 2022
Link: https://doi.org/10.1021/..
 
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12

Transferable Neural Network Potential Energy Surfaces for C..:

Jacobson, Leif D. ; Stevenson, James M. ; Ramezanghorbani, Farhad...
Journal of Chemical Theory and Computation.  18 (2022)  4 - p. 2354-2366 , 2022
Link: https://doi.org/10.1021/..
 
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13

Exploring the Activity Profile of TbrPDEB1 and hPDE4 Inhibi..:

Zara, Lorena ; Moraca, Francesca ; Van Muijlwijk-Koezen, Jacqueline E....
ACS Medicinal Chemistry Letters.  13 (2022)  6 - p. 904-910 , 2022
Link: https://doi.org/10.1021/..
 
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14

Induced-Fit Docking Enables Accurate Free Energy Perturbati..:

Xu, Tianchuan ; Zhu, Kai ; Beautrait, Alexandre...
Journal of Chemical Theory and Computation.  18 (2022)  9 - p. 5710-5724 , 2022
Link: https://doi.org/10.1021/..
 
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15

AutoDesigner, a De Novo Design Algorithm for Rapidly Explor..:

Bos, Pieter H. ; Houang, Evelyne M. ; Ranalli, Fabio...
Journal of Chemical Information and Modeling.  62 (2022)  8 - p. 1905-1915 , 2022
Link: https://doi.org/10.1021/..
 
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