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Consensus on the Definition of Advanced Parkinson’s Disease: A Neurologists-Based Delphi Study (CEPA Study)

Parkinson's disease, 2017-01, Vol.2017, p.4047392-8

2017

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Mechanisms for guanine–cytosine tautomeric equilibrium in solution via steered molecular dynamic simulations

Journal of molecular liquids, 2018-02, Vol.251, p.308-316

2018

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Theoretical study of mechanisms for double proton transfer in adenine–uracil base pair via steered molecular dynamic simulations

Journal of molecular liquids, 2018-09, Vol.265, p.487-495

2018

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Structural and thermodynamic studies of cytosine to thymine conversion in gas and solution phases using steered molecular dynamic simulations

Journal of molecular liquids, 2019-03, Vol.278, p.61-69

2019

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Theoretical study of mechanisms for the hydrolytic deamination of cytosine via steered molecular dynamic simulations

RSC advances, 2018-01, Vol.8 (61), p.34867-34876

2018

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Theoretical determination of aqueous acid–base pK values: electronic structure calculations and steered molecular dynamic simulations

Theoretical chemistry accounts, 2016-11, Vol.135 (11), p.1-10, Article 251

2016

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Steered molecular dynamic simulations of the tautomeric equilibria in solution of DNA bases

Journal of molecular liquids, 2017-07, Vol.237, p.81-88

2017

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The Unheard Stories: Experiences of Young People Living with Human Immunodeficiency Virus in Dealing with Discrimination in the Philippines

HIV/AIDS (Auckland), 2024-01, Vol.16, p.33-43

2024

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Characterisation of metal combustion with DUST code

Fusion engineering and design, 2015-10, Vol.98-99, p.2142-2146

2015

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Theoretical Study of the Neutral Hydrolysis of Hydrogen Isocyanate in Aqueous Solution via Assisted-Concerted Mechanisms

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2009-03, Vol.113 (9), p.1858-1863

2009

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4CPS-068 Impact of pharmacogenetics in severe allergic asthma patients treated with omalizumab

European journal of hospital pharmacy. Science and practice, 2022-03, Vol.29 (Suppl 1), p.A50-A51

2022

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Two methods of random seed generation to avoid over-segmentation with stochastic watershed: application to nuclear fuel micrographs

Journal of microscopy (Oxford), 2009-10, Vol.236 (1), p.79-86

2009

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Molecular Simulation of the Hydration of Ethene to Ethanol Using Ab Initio Potentials and Free Energy Curves

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2007-12, Vol.111 (51), p.13515-13520

2007

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Molecular Dynamics Simulation of the Reaction of Hydration of Formaldehyde Using a Potential Based on Solute−Solvent Interaction Energy Components

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2007-01, Vol.111 (2), p.339-344

2007

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Pedagogical Realities of Implementing Task-Based Language Teaching

1, 2022

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Thermodynamic Study of Hydrolysis Reactions in Aqueous Solution from Ab Initio Potential and Molecular Dynamics Simulations

Journal of chemistry, 2013-01, Vol.2013 (1)

2013

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Molecular dynamics simulation of acetamide solvation using interaction energy components: Application to structural and energy properties

Chemical physics, 2006-08, Vol.327 (1), p.187-192

2006

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Disclosures of conflicts of interest in clinical practice guidelines

Clinical epidemiology and global health, 2021-01, Vol.9, p.355-359

2021

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Calculation of free-energy curves for the study of hydrolysis reactions in aqueous solution from ab initio potentials and molecular dynamics simulation

Chemical physics, 2008-11, Vol.353 (1), p.73-78

2008

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Mechanisms of the T-A to C-G transition studied by SMD simulations: Deamination vs tautomerisation

Journal of molecular liquids, 2020-06, Vol.308, p.113036, Article 113036

2020

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Molecular dynamics study of formamidine decomposition in gas and solution phases via free energy curves from ab initio interaction potentials

Theoretical chemistry accounts, 2010-11, Vol.127 (5-6), p.671-679

2010

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A procedure to understanding the C-G to A-T transversion. SMD simulations from guanine oxidation pathways assisted by one H2O2 molecule in the C-G basis pair

Journal of molecular liquids, 2020-12, Vol.319, p.114123, Article 114123

2020

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Efficacy of vitamin D alone or in combination with weight-reduction programs in weight loss among adults with above-normal BMI: a systematic review and meta-analysis

European heart journal, 2021-10, Vol.42 (Supplement_1)

2021

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Theoretical study of mechanisms for the hydrolytic deamination of cytosine via steered molecular dynamic simulationsElectronic supplementary information (ESI) available: Table S1 displays the Cartesian coordinates for initial structures of C-W complex in solution from the electronic structure calculation. Table S2 shows the Cartesian coordinates of the stationary structures from the SMD simulations. Table S3 collects enthalpies and free energies in gas and solution phase of the stationary struct

2018-10

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Amide-imide tautomerism of acetohydroxamic acid in aqueous solution: quantum calculation and SMD simulations

RSC advances, 2014, Vol.4 (84), p.44757-44768

2014

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Consensus on the Definition of Advanced Parkinson’s Disease: A Neurologists-Based Delphi Study (CEPA Study)

Mechanisms for guanine–cytosine tautomeric equilibrium in solution via steered molecular dynamic simulations

Theoretical study of mechanisms for double proton transfer in adenine–uracil base pair via steered molecular dynamic simulations

Structural and thermodynamic studies of cytosine to thymine conversion in gas and solution phases using steered molecular dynamic simulations

Theoretical study of mechanisms for the hydrolytic deamination of cytosine via steered molecular dynamic simulations

Theoretical determination of aqueous acid–base pK values: electronic structure calculations and steered molecular dynamic simulations

Steered molecular dynamic simulations of the tautomeric equilibria in solution of DNA bases

The Unheard Stories: Experiences of Young People Living with Human Immunodeficiency Virus in Dealing with Discrimination in the Philippines

Characterisation of metal combustion with DUST code

Theoretical Study of the Neutral Hydrolysis of Hydrogen Isocyanate in Aqueous Solution via Assisted-Concerted Mechanisms

4CPS-068 Impact of pharmacogenetics in severe allergic asthma patients treated with omalizumab

Two methods of random seed generation to avoid over-segmentation with stochastic watershed: application to nuclear fuel micrographs

Molecular Simulation of the Hydration of Ethene to Ethanol Using Ab Initio Potentials and Free Energy Curves

Molecular Dynamics Simulation of the Reaction of Hydration of Formaldehyde Using a Potential Based on Solute−Solvent Interaction Energy Components

Pedagogical Realities of Implementing Task-Based Language Teaching

Thermodynamic Study of Hydrolysis Reactions in Aqueous Solution from Ab Initio Potential and Molecular Dynamics Simulations

Molecular dynamics simulation of acetamide solvation using interaction energy components: Application to structural and energy properties

Disclosures of conflicts of interest in clinical practice guidelines

Calculation of free-energy curves for the study of hydrolysis reactions in aqueous solution from ab initio potentials and molecular dynamics simulation

Mechanisms of the T-A to C-G transition studied by SMD simulations: Deamination vs tautomerisation

Molecular dynamics study of formamidine decomposition in gas and solution phases via free energy curves from ab initio interaction potentials

A procedure to understanding the C-G to A-T transversion. SMD simulations from guanine oxidation pathways assisted by one H2O2 molecule in the C-G basis pair

Efficacy of vitamin D alone or in combination with weight-reduction programs in weight loss among adults with above-normal BMI: a systematic review and meta-analysis

Amide-imide tautomerism of acetohydroxamic acid in aqueous solution: quantum calculation and SMD simulations

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