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Ghanakota, Phani
21  results:
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1

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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2

Chemical validation of a druggable site on Hsp27/HSPB1 usin..:

Makley, Leah N. ; Johnson, Oleta T. ; Ghanakota, Phani...
Bioorganic & Medicinal Chemistry.  34 (2021)  - p. 115990 , 2021
Link: https://doi.org/10.1016/..
 
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3

Reliable and Accurate Solution to the Induced Fit Docking P..:

Miller, Edward B. ; Murphy, Robert B. ; Sindhikara, Daniel...
Journal of Chemical Theory and Computation.  17 (2021)  4 - p. 2630-2639 , 2021
Link: https://doi.org/10.1021/..
 
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4

Combining Cloud-Based Free-Energy Calculations, Synthetical..:

Ghanakota, Phani ; Bos, Pieter H. ; Konze, Kyle D....
Journal of Chemical Information and Modeling.  60 (2020)  9 - p. 4311-4325 , 2020
Link: https://doi.org/10.1021/..
 
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5

Free Energies and Entropies of Binding Sites Identified by ..:

Ghanakota, Phani ; DasGupta, Debarati ; Carlson, Heather A.
Journal of Chemical Information and Modeling.  59 (2019)  5 - p. 2035-2045 , 2019
Link: https://doi.org/10.1021/..
 
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6

Large-Scale Validation of Mixed-Solvent Simulations to Asse..:

Ghanakota, Phani ; van Vlijmen, Herman ; Sherman, Woody.
Journal of Chemical Information and Modeling.  58 (2018)  4 - p. 784-793 , 2018
Link: https://doi.org/10.1021/..
 
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7

Comparing pharmacophore models derived from crystallography..:

Ghanakota, Phani ; Carlson, Heather A.
Journal of Computer-Aided Molecular Design.  31 (2017)  11 - p. 979-993 , 2017
Link: https://doi.org/10.1007/..
 
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8

Moving Beyond Active-Site Detection: MixMD Applied to Allos..:

Ghanakota, Phani ; Carlson, Heather A.
The Journal of Physical Chemistry B.  120 (2016)  33 - p. 8685-8695 , 2016
Link: https://doi.org/10.1021/..
 
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9

Driving Structure-Based Drug Discovery through Cosolvent Mo..:

Ghanakota, Phani ; Carlson, Heather A.
Journal of Medicinal Chemistry.  59 (2016)  23 - p. 10383-10399 , 2016
Link: https://doi.org/10.1021/..
 
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10

Identifying binding hot spots on protein surfaces by mixed‐..:

Ung, Peter M. U. ; Ghanakota, Phani ; Graham, Sarah E...
Biopolymers.  105 (2015)  1 - p. 21-34 , 2015
Link: https://doi.org/10.1002/..
 
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11

Substrate-Competitive Activity-Based Profiling of Ester Pro..:

Xu, Hao ; Majmudar, Jaimeen D. ; Davda, Dahvid...
Molecular Pharmaceutics.  12 (2015)  9 - p. 3399-3407 , 2015
Link: https://doi.org/10.1021/..
 
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12

Chemical validation of a druggable site on Hsp27/HSPB1 usin..:

Makley, Leah N ; Johnson, Oleta T ; Ghanakota, Phani...
qt2pb3008d.  , 2021
Link: https://escholarship.org..
 
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13

Chemical Validation of a Druggable Site on Hsp27/HSPB1 usin..:

Makley, Leah N ; Johnson, Oleta T ; Ghanakota, Phani...
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7968374/.  , 2021
Link: http://www.ncbi.nlm.nih...
 
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14

Noncovalent inhibitors reveal BTK gatekeeper and auto-inhib..:

Wang, Shenqiu ; Mondal, Sayan ; Zhao, Chunying...
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6629124/.  , 2019
Link: http://www.ncbi.nlm.nih...
 
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15

Free Energies and Entropies of Binding Sites Identified by ..:

Ghanakota, Phani ; DasGupta, Debarati ; Carlson, Heather A
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6549510/.  , 2019
Link: http://www.ncbi.nlm.nih...
 
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