Patric Schyman: search on Z-Library

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1

Treatment of Halogen Bonding in the OPLS-AA Force Field: Application to Potent Anti-HIV Agents

Jorgensen, William L., Schyman, Patric

Journal:

Journal of Chemical Theory and Computation

Year:

2012

Language:

english

File:

PDF, 3.19 MB

english, 2012

2

Short-term metabolic adjustments in Plasmodium falciparum counter hypoxanthine deprivation at the expense of long-term viability

Tewari, Shivendra G., Rajaram, Krithika, Schyman, Patric, Swift, Russell, Reifman, Jaques, Prigge, Sean T., Wallqvist, Anders

Journal:

Malaria Journal

Year:

2019

Language:

english

File:

PDF, 7.14 MB

english, 2019

3

A toxicogenomic approach to assess kidney injury induced by mercuric chloride in rats

Schyman, Patric, Printz, Richard L., AbdulHameed, Mohamed Diwan M., Estes, Shanea K., Shiota, Chiyo, Shiota, Masakazu, Wallqvist, Anders

Journal:

Year:

2020

File:

PDF, 3.11 MB

2020

4

On the Effect of Low-Energy Electron Induced DNA Strand Break in Aqueous Solution: A Theoretical Study Indicating Guanine as a Weak Link in DNA

Schyman, Patric, Laaksonen, Aatto

Journal:

Journal of the American Chemical Society

Year:

2008

Language:

english

File:

PDF, 280 KB

english, 2008

5

Identification of the Toxicity Pathways Associated With Thioacetamide-Induced Injuries in Rat Liver and Kidney

Schyman, Patric, Printz, Richard L., Estes, Shanea K., Boyd, Kelli L., Shiota, Masakazu, Wallqvist, Anders

Journal:

Frontiers in Pharmacology

Year:

2018

Language:

english

File:

PDF, 6.09 MB

english, 2018

6

Exploring Adsorption of Water and Ions on Carbon Surfaces Using a Polarizable Force Field

Schyman, Patric, Jorgensen, William L.

Journal:

The Journal of Physical Chemistry Letters

Year:

2013

Language:

english

File:

PDF, 1.36 MB

english, 2013

7

Phosphodiester bond rupture in 5′ and 3′ cytosine monophosphate in aqueous environment and the effect of low-energy electron attachment: A Car–Parrinello QM/MM molecular dynamics study

Patric Schyman, Aatto Laaksonen, Håkan W. Hugosson

Journal:

Chemical Physics Letters

Year:

2008

Language:

english

File:

PDF, 634 KB

english, 2008

8

Intramolecular Gas-Phase Reactions of Synthetic Nonheme Oxoiron(IV) Ions: Proximity and Spin-State Reactivity Rules

Dr. Rubén Mas-Ballesté, Dr. Aidan R. McDonald, Dr. Dana Reed, Dr. Dandamudi Usharani, Dr. Patric Schyman, Dr. Petr Milko, Prof. Sason Shaik, Prof. Lawrence Que Jr.

Journal:

Chemistry - A European Journal

Year:

2012

Language:

english

File:

PDF, 1.10 MB

english, 2012

9

The Fundamental Role of Exchange-Enhanced Reactivity in CH Activation by S=2 Oxo Iron(IV) Complexes

Deepa Janardanan, Yong Wang, Patric Schyman, Lawrence Que Jr., Sason Shaik

Journal:

Angewandte Chemie

Year:

2010

Language:

english

File:

PDF, 377 KB

english, 2010

10

General Purpose 2D and 3D Similarity Approach to Identify hERG Blockers

Schyman, Patric, Liu, Ruifeng, Wallqvist, Anders

Journal:

Journal of Chemical Information and Modeling

Year:

2016

Language:

english

File:

PDF, 2.13 MB

english, 2016

11

Hydrogen Abstraction from Deoxyribose by a Neighboring 3′-Uracil Peroxyl Radical

Schyman, Patric, Eriksson, Leif A., Laaksonen, Aatto

Journal:

Journal of Physical Chemistry B

Year:

2009

Language:

english

File:

PDF, 3.64 MB

english, 2009

12

vNN Web Server for ADMET Predictions

Schyman, Patric, Liu, Ruifeng, Desai, Valmik, Wallqvist, Anders

Journal:

Frontiers in Pharmacology

Year:

2017

Language:

english

File:

PDF, 3.20 MB

english, 2017

13

Highly Enantioselective Organocatalytic Addition of Aldehydes to N-(Phenylmethylene)benzamides: Asymmetric Synthesis of the Paclitaxel Side Chain and Its Analogues

Pawel Dziedzic, Patric Schyman, Martin Kullberg, Armando Córdova

Journal:

Chemistry - A European Journal

Year:

2009

Language:

english

File:

PDF, 288 KB

english, 2009

14

ChemInform Abstract: Highly Enantioselective Organocatalytic Addition of Aldehydes to N-(Phenylmethylene)benzamides: Asymmetric Synthesis of the Paclitaxel Side Chain and Its Analogues.

Pawel Dziedzic, Patric Schyman, Martin Kullberg, Armando Cordova

Journal:

Year:

2009

File:

PDF, 27 KB

2009

15

The many faces of halogen bonding: a review of theoretical models and methods

Wolters, Lando P., Schyman, Patric, Pavan, Mariela J., Jorgensen, William L., Bickelhaupt, F. Matthias, Kozuch, Sebastian

Journal:

Wiley Interdisciplinary Reviews: Computational Molecular Science

Year:

2014

Language:

english

File:

PDF, 1.18 MB

english, 2014

16

Molecular Dynamics Simulation of 8-Oxoguanine Containing DNA Fragments Reveals Altered Hydration and Ion Binding Patterns.

Naômé, Aymeric, Schyman, Patric, Laaksonen, Aatto, Vercauteren, Daniel P.

Journal:

Journal of Physical Chemistry B

Year:

2010

Language:

english

File:

PDF, 62 KB

english, 2010

17

Hydroxyl radical – Thymine adduct induced DNA damages

Patric Schyman, Leif A Eriksson, Ru bo Zhang, Aatto Laaksonen

Journal:

Chemical Physics Letters

Year:

2008

Language:

english

File:

PDF, 574 KB

english, 2008

18

Hydrogen abstraction from deoxyribose by a neighbouring uracil-5-yl radical

Schyman, Patric, Zhang, Ru bo, Eriksson, Leif A., Laaksonen, Aatto

Journal:

Physical Chemistry Chemical Physics

Year:

2007

Language:

english

File:

PDF, 840 KB

english, 2007

19

Deep Neural Network Models for Predicting Chemically Induced Liver Toxicity Endpoints From Transcriptomic Responses

Wang, Hao, Liu, Ruifeng, Schyman, Patric, Wallqvist, Anders

Journal:

Frontiers in Pharmacology

Year:

2019

Language:

english

File:

PDF, 1.20 MB

english, 2019

20

Nonlinear Effects in Asymmetric Amino Acid Catalysis by Multiple Interconnected Stereoselective Catalytic Networks

Dr. Ramon Rios, Dr. Patric Schyman, Dr. Henrik Sundén, Dr. Gui-Ling Zhao, Dr. Farman Ullah, Dr. Li-Jun Chen, Prof. Dr. Aatto Laaksonen, Prof. Dr. Armando Córdova

Journal:

Chemistry - A European Journal

Year:

2010

Language:

english

File:

PDF, 378 KB

english, 2010

21

Cooperative Effects and Optimal Halogen Bonding Motifs for Self-Assembling Systems

Yan, Xin Cindy, Schyman, Patric, Jorgensen, William L.

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 1.59 MB

english, 2014

22

Characterization of Biaryl Torsional Energetics and its Treatment in OPLS All-Atom Force Fields

Dahlgren, Markus K., Schyman, Patric, Tirado-Rives, Julian, Jorgensen, William L.

Journal:

Journal of Chemical Information and Modeling

Year:

2013

Language:

english

File:

PDF, 638 KB

english, 2013

23

Theoretical Study of the Human DNA Repair Protein HOGG1 Activity

Schyman, Patric, Danielsson, Jonas, Pinak, Miroslav, Laaksonen, Aatto

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 270 KB

english, 2005

24

Concordance between Thioacetamide-Induced Liver Injury in Rat and Human In Vitro Gene Expression Data

Schyman, Patric, Printz, Richard L., Estes, Shanea K., OâBrien, Tracy P., Shiota, Masakazu, Wallqvist, Anders

Journal:

International Journal of Molecular Sciences

Year:

2020

File:

PDF, 2.56 MB

2020

25

Trends in Aromatic Oxidation Reactions Catalyzed by Cytochrome P450 Enzymes: A Valence Bond Modeling

Shaik, Sason, Milko, Petr, Schyman, Patric, Usharani, Dandamudi, Chen, Hui

Journal:

Journal of Chemical Theory and Computation

Year:

2011

Language:

english

File:

PDF, 2.23 MB

english, 2011

26

The Fundamental Role of Exchange-Enhanced Reactivity in CH Activation by S=2 Oxo Iron(IV) Complexes

Deepa Janardanan, Yong Wang, Patric Schyman, Lawrence Que Jr., Sason Shaik

Journal:

Angewandte Chemie International Edition

Year:

2010

Language:

english

File:

PDF, 396 KB

english, 2010

27

The Directive of the Protein: How Does Cytochrome P450 Select the Mechanism of Dopamine Formation?

Schyman, Patric, Lai, Wenzhen, Chen, Hui, Wang, Yong, Shaik, Sason

Journal:

Journal of the American Chemical Society

Year:

2011

Language:

english

File:

PDF, 4.06 MB

english, 2011

28

Critically Assessing the Predictive Power of QSAR Models for Human Liver Microsomal Stability

Liu, Ruifeng, Schyman, Patric, Wallqvist, Anders

Journal:

Journal of Chemical Information and Modeling

Year:

2015

Language:

english

File:

PDF, 2.29 MB

english, 2015

29

Using the Variable-Nearest Neighbor Method To Identify P-Glycoprotein Substrates and Inhibitors

Schyman, Patric, Liu, Ruifeng, Wallqvist, Anders

Journal:

Year:

2016

Language:

english

File:

PDF, 1.11 MB

english, 2016

30

Solvating, manipulating, damaging, and repairing DNA in a computer

Juraj Bunta, Martin Dahlberg, Leif Eriksson, Nikolai Korolev, Aatto Laaksonen, Raimo Lohikoski, Alexander Lyubartsev, Miroslav Pinak, Patric Schyman

Journal:

International Journal of Quantum Chemistry

Year:

2007

Language:

english

File:

PDF, 579 KB

english, 2007

31

Brain Chemistry: How Does P450 Catalyze the O-Demethylation Reaction of 5-Methoxytryptamine to Yield Serotonin?

Schyman, Patric, Usharani, Dandamudi, Wang, Yong, Shaik, Sason

Journal:

Journal of Physical Chemistry B

Year:

2010

Language:

english

File:

PDF, 3.04 MB

english, 2010

32

Molecular Dynamics Simulation of 8-Oxoguanine Containing DNA Fragments Reveals Altered Hydration and Ion Binding Patterns

Naômé, Aymeric, Schyman, Patric, Laaksonen, Aatto, Vercauteren, Daniel P.

Journal:

Journal of Physical Chemistry B

Year:

2010

Language:

english

File:

PDF, 7.28 MB

english, 2010

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