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Mendels, Dan
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1

Development of Masitinib Derivatives with Enhanced Mpro Lig..:

Menendez, Cintia A. ; Mohamed, Adil ; Perez-Lemus, Gustavo R....
Molecules.  28 (2023)  18 - p. 6643 , 2023
Link: https://doi.org/10.3390/..
 
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2

Collective Variables for Free Energy Surface Tailoring: Und..:

Mendels, Dan ; de Pablo, Juan J.
The Journal of Physical Chemistry Letters.  13 (2022)  12 - p. 2830-2837 , 2022
Link: https://doi.org/10.1021/..
 
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3

Solubility of Organic Salts in Solvent–Antisolvent Mixtures..:

Bjelobrk, Zoran ; Rajagopalan, Ashwin Kumar ; Mendels, Dan...
Journal of Chemical Theory and Computation.  18 (2022)  8 - p. 4952-4959 , 2022
Link: https://doi.org/10.1021/..
 
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4

Solubility Prediction of Organic Molecules with Molecular D..:

Bjelobrk, Zoran ; Mendels, Dan ; Karmakar, Tarak..
Crystal Growth & Design.  21 (2021)  9 - p. 5198-5205 , 2021
Link: https://doi.org/10.1021/..
 
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5

Improving collective variables: The case of crystallization:

Zhang, Yue-Yu ; Niu, Haiyang ; Piccini, GiovanniMaria..
The Journal of Chemical Physics.  150 (2019)  9 - p. , 2019
Link: https://doi.org/10.1063/..
 
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6

Blind Search for Complex Chemical Pathways Using Harmonic L..:

Rizzi, Valerio ; Mendels, Dan ; Sicilia, Emilia.
Journal of Chemical Theory and Computation.  15 (2019)  8 - p. 4507-4515 , 2019
Link: https://doi.org/10.1021/..
 
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7

Collective Variables from Local Fluctuations:

Mendels, Dan ; Piccini, GiovanniMaria ; Parrinello, Michele
The Journal of Physical Chemistry Letters.  9 (2018)  11 - p. 2776-2781 , 2018
Link: https://doi.org/10.1021/..
 
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8

Folding a small protein using harmonic linear discriminant ..:

Mendels, Dan ; Piccini, Giovannimaria ; Brotzakis, Z. Faidon..
The Journal of Chemical Physics.  149 (2018)  19 - p. , 2018
Link: https://doi.org/10.1063/..
 
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9

Searching for Entropically Stabilized Phases: The Case of S..:

Mendels, Dan ; McCarty, James ; Piaggi, Pablo M..
The Journal of Physical Chemistry C.  122 (2018)  3 - p. 1786-1790 , 2018
Link: https://doi.org/10.1021/..
 
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10

Metadynamics with Discriminants: A Tool for Understanding C..:

Piccini, GiovanniMaria ; Mendels, Dan ; Parrinello, Michele
Journal of Chemical Theory and Computation.  14 (2018)  10 - p. 5040-5044 , 2018
Link: https://doi.org/10.1021/..
 
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11

A Comprehensive study of the Effects of Chain Morphology on..:

Mendels, Dan ; Tessler, Nir
Scientific Reports.  6 (2016)  1 - p. , 2016
Link: https://doi.org/10.1038/..
 
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12

Field dependent thermoelectric properties of organic semico..:

Mendels, Dan ; Tessler, Nir
Journal of Applied Physics.  117 (2015)  10 - p. , 2015
Link: https://doi.org/10.1063/..
 
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13

Thermoelectricity in Disordered Organic Semiconductors unde..:

Mendels, Dan ; Tessler, Nir
The Journal of Physical Chemistry Letters.  5 (2014)  18 - p. 3247-3253 , 2014
Link: https://doi.org/10.1021/..
 
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14

Drift and Diffusion in Disordered Organic Semiconductors: T..:

Mendels, Dan ; Tessler, Nir
The Journal of Physical Chemistry C.  117 (2013)  7 - p. 3287-3293 , 2013
Link: https://doi.org/10.1021/..
 
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15

The Topology of Hopping in the Energy Domain of Systems wit..:

Mendels, Dan ; Tessler, Nir
The Journal of Physical Chemistry C.  117 (2013)  47 - p. 24740-24745 , 2013
Link: https://doi.org/10.1021/..
 
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