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Behara, Pavan K.
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1

Development and benchmarking of a self-consistent force fie..:

Cavender, Chapin E. ; Behara, Pavan K. ; Dotson, David L....
Biophysical Journal.  123 (2024)  3 - p. 421a , 2024
Link: https://doi.org/10.1016/..
 
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2

Development and benchmarking of an open, self-consistent fo..:

Cavender, Chapin E. ; Behara, Pavan K. ; Boothroyd, Simon...
Biophysical Journal.  122 (2023)  3 - p. 421a , 2023
Link: https://doi.org/10.1016/..
 
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3

Development of a self-consistent force field for proteins a..:

Cavender, Chapin E ; Behara, Pavan K ; Boothroyd, Simon...
doi:10.5281/zenodo.7694827.  , 2023
Link: https://zenodo.org/recor..
 
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4

Development and benchmarking of an open, self-consistent fo..:

Cavender, Chapin E ; Behara, Pavan K ; Boothroyd, Simon...
doi:10.5281/zenodo.7696578.  , 2023
Link: https://zenodo.org/recor..
 
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5

Building an open, self-consistent force field for biopolyme..:

Cavender, Chapin E ; Behara, Pavan K ; Boothroyd, Simon...
doi:10.5281/zenodo.6153445.  , 2022
Link: https://zenodo.org/recor..
 
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6

The Open Force Field Initiative: Open Software and Open Sci..:

Wang, Lily ; Behara, Pavan Kumar ; Thompson, Matthew W....
The Journal of Physical Chemistry B.  128 (2024)  29 - p. 7043-7067 , 2024
Link: https://doi.org/10.1021/..
 
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7

Development and Benchmarking of Open Force Field 2.0.0: The..:

Boothroyd, Simon ; Behara, Pavan Kumar ; Madin, Owen C....
Journal of Chemical Theory and Computation.  19 (2023)  11 - p. 3251-3275 , 2023
Link: https://doi.org/10.1021/..
 
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8

Development and Benchmarking of Open Force Field 2.0.0: The..:

Boothroyd, Simon ; Behara, Pavan Kumar ; Madin, Owen C...
qt35b7v1pz.  , 2023
Link: https://escholarship.org..
 
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9

Effect of boron fertilization on productivity and sustainab..:

Pachauri, S.P. ; Shukla, Arvind K. ; Srivastava, P.C....
Journal of Environmental Management.  359 (2024)  - p. 121084 , 2024
Link: https://doi.org/10.1016/..
 
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10

Benchmarking Quantum Mechanical Levels of Theory for Valenc..:

Behara, Pavan Kumar ; Jang, Hyesu ; Horton, Joshua T....
The Journal of Physical Chemistry B.  128 (2024)  32 - p. 7888-7902 , 2024
Link: https://doi.org/10.1021/..
 
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11

Machine-learned molecular mechanics force fields from large..:

Takaba, Kenichiro ; Friedman, Anika J. ; Cavender, Chapin E....
Chemical Science.  15 (2024)  32 - p. 12861-12878 , 2024
Link: https://doi.org/10.1039/..
 
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12

SPICE, A Dataset of Drug-like Molecules and Peptides for Tr..:

Eastman, Peter ; Behara, Pavan Kumar ; Dotson, David L....
Scientific Data.  10 (2023)  1 - p. , 2023
Link: https://doi.org/10.1038/..
 
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13

A transferable double exponential potential for condensed p..:

Horton, Joshua T. ; Boothroyd, Simon ; Behara, Pavan Kumar..
Digital Discovery.  2 (2023)  4 - p. 1178-1187 , 2023
Link: https://doi.org/10.1039/..
 
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14

Open Force Field BespokeFit: Automating Bespoke Torsion Par..:

Horton, Joshua T. ; Boothroyd, Simon ; Wagner, Jeffrey...
Journal of Chemical Information and Modeling.  62 (2022)  22 - p. 5622-5633 , 2022
Link: https://doi.org/10.1021/..
 
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15

Electron transfer in extended systems: characterization by ..:

Behara, Pavan Kumar ; Dupuis, Michel
Physical Chemistry Chemical Physics.  22 (2020)  19 - p. 10609-10623 , 2020
Link: https://doi.org/10.1039/..
 
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