Klimovich, Pavel V.: search on Z-Library

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1

Guidelines for the analysis of free energy calculations

Klimovich, Pavel V., Shirts, Michael R., Mobley, David L.

Journal:

Journal of Computer-Aided Molecular Design

Year:

2015

Language:

english

File:

PDF, 1.61 MB

english, 2015

2

5,6-Bis(octyloxy)-2,1,3-benzoxadiazole-based (X–DADAD) n polymers incorporating electron-donor building blocks used as photoactive materials in organic solar cells

Klimovich, Irina V., Prudnov, Fedor A., Inasaridze, Liana N., Kuznetsov, Iliya E., Peregudov, Alexander S., Troshin, Pavel A.

Journal:

Mendeleev Communications

Year:

2017

Language:

english

File:

PDF, 384 KB

english, 2017

3

Predicting hydration free energies using all-atom molecular dynamics simulations and multiple starting conformations

Pavel V. Klimovich, David L. Mobley

Journal:

Journal of Computer-Aided Molecular Design

Year:

2010

Language:

english

File:

PDF, 648 KB

english, 2010

4

Functionalized Naphthalene Diimides as LowâCost Organic Cathodes for Potassium Batteries

Blokhina, Anastasiia D., Kozlov, Alexey V., Klimovich, Irina V., Troshin, Pavel A.

Journal:

physica status solidi (a)

Year:

2020

File:

PDF, 1.09 MB

2020

5

Implicit-descriptor ligand-based virtual screening by means of collaborative filtering

Srinivas, Raghuram, Klimovich, Pavel V., Larson, Eric C.

Journal:

Journal of Cheminformatics

Year:

2018

Language:

english

File:

PDF, 2.50 MB

english, 2018

6

What is Killing Organic Photovoltaics: Light‐Induced Crosslinking as a General Degradation Pathway of Organic Conjugated Molecules

Yamilova, Olga R., Martynov, Ilya V., Brandvold, Allison S., Klimovich, Irina V., Balzer, Alex H., Akkuratov, Alexander V., Kusnetsov, Ilya E., Stingelin, Natalie, Troshin, Pavel A.

Journal:

Advanced Energy Materials

Year:

2020

Language:

english

File:

PDF, 2.42 MB

english, 2020

7

Novel functionalized indigo derivatives for organic electronics

Klimovich, Irina V., Zhilenkov, Alexander V., Ðuznetsova, Lidiya I., Frolova, Lubov A., Yamilova, Olga R., Troyanov, Sergey I., Lyssenko, Konstantin A., Troshin, Pavel A.

Journal:

Dyes and Pigments

Year:

2020

File:

PDF, 838 KB

2020

8

Erratum to: Predicting hydration free energies using all-atom molecular dynamics simulations and multiple starting conformations

Pavel V. Klimovich, David L. Mobley

Journal:

Journal of Computer-Aided Molecular Design

Year:

2013

File:

PDF, 94 KB

2013

9

Perspective: Alchemical free energy calculations for drug discovery

Mobley, David L., Klimovich, Pavel V.

Journal:

The Journal of Chemical Physics

Year:

2012

Language:

english

File:

PDF, 3.60 MB

english, 2012

10

What has singleâcell RNA sequencing revealed about microglial neuroimmunology?

Kubick, Norwin, Henckell Flournoy, Patrick C., Klimovich, Pavel, Manda, Gina, Mickael, MichelâEdwar

Journal:

Immunity, Inflammation and Disease

Year:

2020

File:

PDF, 1.41 MB

2020

11

Effect of Alkyl Side Chains on the Photovoltaic Performance of 2,1,3-Benzoxadiazole-Based (-X-DADAD-) n -Type Copolymers

Klimovich, Irina V., Susarova, Diana K., Inasaridze, Liana N., Akkuratov, Alexander V., Chernyak, Alexander. V., Troshin, Pavel A.

Journal:

Macromolecular Chemistry and Physics

Year:

2017

Language:

english

File:

PDF, 1.43 MB

english, 2017

12

A Python tool to set up relative free energy calculations in GROMACS

Klimovich, Pavel V., Mobley, David L.

Journal:

Journal of Computer-Aided Molecular Design

Year:

2015

Language:

english

File:

PDF, 1.29 MB

english, 2015

13

A Bicistronic Plasmid Encoding Brain-Derived Neurotrophic Factor and Urokinase Plasminogen Activator Stimulates Peripheral Nerve Regeneration After Injury

Karagyaur, Maxim, Rostovtseva, Alexandra, Semina, Ekaterina, Klimovich, Polina, Balabanyan, Vadim, Makarevich, Pavel, Popov, Vladimir, Stambolsky, Dmitry, Tkachuk, Vsevolod

Journal:

Journal of Pharmacology and Experimental Therapeutics

Year:

2020

File:

PDF, 1.34 MB

2020

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