Conditional Reversible Work Coarse-Grained Models of Molecular Liquids with Coulomb Electrostatics – A Proof of Concept Study on Weakly Polar Organic Molecules

Gregor Deichmann; Nico F. A. van der Vegt

doi:10.1021/acs.jctc.7b00611

Conditional Reversible Work Coarse-Grained Models of Molecular Liquids with Coulomb Electrostatics – A Proof of Concept Study on Weakly Polar Organic Molecules

Journal of Chemical Theory and Computation ◽

10.1021/acs.jctc.7b00611 ◽

2017 ◽

Vol 13 (12) ◽

pp. 6158-6166 ◽

Cited By ~ 7

Author(s):

Gregor Deichmann ◽

Nico F. A. van der Vegt

Keyword(s):

Organic Molecules ◽

Coarse Grained ◽

Proof Of Concept ◽

Molecular Liquids ◽

Concept Study ◽

Reversible Work

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Bottom-up derivation of conservative and dissipative interactions for coarse-grained molecular liquids with the conditional reversible work method

The Journal of Chemical Physics ◽

10.1063/1.4903454 ◽

2014 ◽

Vol 141 (22) ◽

pp. 224109 ◽

Cited By ~ 19

Author(s):

Gregor Deichmann ◽

Valentina Marcon ◽

Nico F. A. van der Vegt

Keyword(s):

Coarse Grained ◽

Molecular Liquids ◽

Bottom Up ◽

Work Method ◽

Reversible Work

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A Cadaveric Model for Measuring Continuous Positive Airway Pressure (CPAP) in the Nasal Cavity and Paranasal Sinuses: A Proof of Concept Study

10.1055/s-0039-1679476 ◽

2019 ◽

Author(s):

Ryan Rimmer ◽

Chandala Chitguppi ◽

Hermes Garcia ◽

Ian Koszewski ◽

Gurston Nyquist ◽

...

Keyword(s):

Continuous Positive Airway Pressure ◽

Nasal Cavity ◽

Paranasal Sinuses ◽

Airway Pressure ◽

Positive Airway Pressure ◽

Proof Of Concept ◽

Concept Study ◽

Cadaveric Model

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HABITUATION AS PARAMETER FOR PREDICTION OF MENTAL DEVELOPMENT IN HEALTHY PRETERM INFANTS: AN EEG PROOF-OF-CONCEPT STUDY

10.26226/morressier.57d034d0d462b802923830ad ◽

2016 ◽

Author(s):

Antoinette DEPOORTER

Keyword(s):

Preterm Infants ◽

Mental Development ◽

Proof Of Concept ◽

Concept Study

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Treatment of Female Genital Schistosomiasis (FGS) With Praziquantel: A Proof-of-Concept Study

Case Medical Research ◽

10.31525/ct1-nct04115072 ◽

2019 ◽

Author(s):

Keyword(s):

Proof Of Concept ◽

Concept Study ◽

Female Genital

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A Proof of Concept Study of the Efficacy and Safety of Oral LAT8881 in Acute Migraine

Case Medical Research ◽

10.31525/ct1-nct04153409 ◽

2019 ◽

Author(s):

Keyword(s):

Acute Migraine ◽

Proof Of Concept ◽

Efficacy And Safety ◽

Concept Study

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A Mechanism Based Proof of Concept Study of the Effects of Duloxetine in the Treatment of Patients With Osteoarthritic Knee Pain

Case Medical Research ◽

10.31525/ct1-nct04224584 ◽

2020 ◽

Author(s):

Keyword(s):

Knee Pain ◽

Proof Of Concept ◽

Osteoarthritic Knee ◽

Concept Study

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Faculty Opinions recommendation of The safety, tolerance, pharmacokinetic and pharmacodynamic effects of single doses of AT-1001 in coeliac disease subjects: a proof of concept study.

Faculty Opinions – Post-Publication Peer Review of the Biomedical Literature ◽

10.3410/f.1091061.544445 ◽

2007 ◽

Author(s):

Ingvar Bjarnason

Keyword(s):

Coeliac Disease ◽

Proof Of Concept ◽

Concept Study ◽

Pharmacodynamic Effects

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Faculty Opinions recommendation of Effect of mesalazine on mucosal immune biomarkers in irritable bowel syndrome: a randomized controlled proof-of-concept study.

Faculty Opinions – Post-Publication Peer Review of the Biomedical Literature ◽

10.3410/f.1159760.621170 ◽

2009 ◽

Author(s):

Klaus Bielefeldt

Keyword(s):

Irritable Bowel Syndrome ◽

Proof Of Concept ◽

Concept Study ◽

Randomized Controlled ◽

Immune Biomarkers ◽

Irritable Bowel

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Faculty Opinions recommendation of Randomized, double-blind, placebo-controlled, proof-of-concept study of the cortical spreading depression inhibiting agent tonabersat in migraine prophylaxis.

Faculty Opinions – Post-Publication Peer Review of the Biomedical Literature ◽

10.3410/f.1161355.621864 ◽

2009 ◽

Author(s):

David Dodick ◽

Todd Schwedt

Keyword(s):

Cortical Spreading Depression ◽

Spreading Depression ◽

Migraine Prophylaxis ◽

Proof Of Concept ◽

Double Blind ◽

Double Blind Placebo ◽

Concept Study

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Faculty Opinions recommendation of Combination of BAY 60-4552 and vardenafil exerts proerectile facilitator effects in rats with cavernous nerve injury: a proof of concept study for the treatment of phosphodiesterase type 5 inhibitor failure.

Faculty Opinions – Post-Publication Peer Review of the Biomedical Literature ◽

10.3410/f.13387957.14755055 ◽

2011 ◽

Author(s):

Alan Shindel

Keyword(s):

Nerve Injury ◽

Proof Of Concept ◽

Cavernous Nerve ◽

Concept Study ◽

Phosphodiesterase Type 5 Inhibitor ◽

Phosphodiesterase Type ◽

Cavernous Nerve Injury

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