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Wickstrom, Lauren
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1

Developing end-point methods for absolute binding free ener..:

Wickstrom, Lauren ; Gallicchio, Emilio ; Chen, Lieyang..
Physical Chemistry Chemical Physics.  24 (2022)  10 - p. 6037-6052 , 2022
Link: https://doi.org/10.1039/..
 
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2

Thermodynamic Decomposition of Solvation Free Energies with..:

Chen, Lieyang ; Cruz, Anthony ; Roe, Daniel R....
Journal of Chemical Theory and Computation.  17 (2021)  5 - p. 2714-2724 , 2021
Link: https://doi.org/10.1021/..
 
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3

Combining Alchemical Transformation with a Physical Pathway..:

Cruz, Jeffrey ; Wickstrom, Lauren ; Yang, Danzhou..
Journal of Chemical Theory and Computation.  16 (2020)  4 - p. 2803-2813 , 2020
Link: https://doi.org/10.1021/..
 
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4

Ligand Selectivity in the Recognition of Protoberberine Alk..:

Deng, Nanjie ; Xia, Junchao ; Wickstrom, Lauren...
Molecules.  24 (2019)  8 - p. 1574 , 2019
Link: https://doi.org/10.3390/..
 
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5

Role of Displacing Confined Solvent in the Conformational E..:

He, Peng ; Sarkar, Sheila ; Gallicchio, Emilio..
The Journal of Physical Chemistry B.  123 (2019)  40 - p. 8378-8386 , 2019
Link: https://doi.org/10.1021/..
 
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6

Inclusion of enclosed hydration effects in the binding free..:

Pal, Rajat Kumar ; Gadhiya, Satishkumar ; Ramsey, Steven...
PLOS ONE.  14 (2019)  9 - p. e0222902 , 2019
Link: https://doi.org/10.1371/..
 
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7

New Dopamine D3-Selective Receptor Ligands Containing a 6-M..:

Gadhiya, Satishkumar ; Cordone, Pierpaolo ; Pal, Rajat K....
ACS Medicinal Chemistry Letters.  9 (2018)  10 - p. 990-995 , 2018
Link: https://doi.org/10.1021/..
 
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8

Resolving the Ligand-Binding Specificity in c-MYC G-Quadrup..:

Deng, Nanjie ; Wickstrom, Lauren ; Cieplak, Piotr..
The Journal of Physical Chemistry B.  121 (2017)  46 - p. 10484-10497 , 2017
Link: https://doi.org/10.1021/..
 
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9

A combined treatment of hydration and dynamical effects for..:

Pal, Rajat Kumar ; Haider, Kamran ; Kaur, Divya...
Journal of Computer-Aided Molecular Design.  31 (2016)  1 - p. 29-44 , 2016
Link: https://doi.org/10.1007/..
 
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10

Erratum to: A combined treatment of hydration and dynamical..:

Pal, Rajat Kumar ; Haider, Kamran ; Kaur, Divya...
Journal of Computer-Aided Molecular Design.  31 (2016)  1 - p. 45-45 , 2016
Link: https://doi.org/10.1007/..
 
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11

Enthalpic Breakdown of Water Structure on Protein Active-Si..:

Haider, Kamran ; Wickstrom, Lauren ; Ramsey, Steven..
The Journal of Physical Chemistry B.  120 (2016)  34 - p. 8743-8756 , 2016
Link: https://doi.org/10.1021/..
 
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12

ff14SB: Improving the Accuracy of Protein Side Chain and Ba..:

Maier, James A. ; Martinez, Carmenza ; Kasavajhala, Koushik...
Journal of Chemical Theory and Computation.  11 (2015)  8 - p. 3696-3713 , 2015
Link: https://doi.org/10.1021/..
 
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13

Parameterization of an effective potential for protein–liga..:

Wickstrom, Lauren ; Deng, Nanjie ; He, Peng...
Journal of Molecular Recognition.  29 (2015)  1 - p. 10-21 , 2015
Link: https://doi.org/10.1002/..
 
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14

Virtual screening of integrase inhibitors by large scale bi..:

Gallicchio, Emilio ; Deng, Nanjie ; He, Peng...
Journal of Computer-Aided Molecular Design.  28 (2014)  4 - p. 475-490 , 2014
Link: https://doi.org/10.1007/..
 
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15

Distinguishing Binders from False Positives by Free Energy ..:

Deng, Nanjie ; Forli, Stefano ; He, Peng...
The Journal of Physical Chemistry B.  119 (2014)  3 - p. 976-988 , 2014
Link: https://doi.org/10.1021/..
 
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