Lista de obras - Junming Ho - Dominio Público Uruguay

<i>A</i>-value revisited: ring flip energy of chair structures in halogenated cyclohexanes by quantum chemical methods

artículo científico publicado en 2022

A universal approach for continuum solvent pK a calculations: are we there yet?

artículo científico publicado en 2009

Accelerated computation of free energy profile at ab initio quantum mechanical/molecular mechanical accuracy via a semi-empirical reference potential. II. Recalibrating semi-empirical parameters with force matching

artículo científico publicado en 2019

Accelerating the Calculation of Solute-Solvent Interaction Energies through Systematic Molecular Fragmentation

artículo científico publicado en 2019

Accurate line shapes from sub-1 cm(-1) resolution sum frequency generation vibrational spectroscopy of α-pinene at room temperature

article published in 2015

Are Explicit Solvent Models More Accurate than Implicit Solvent Models? A Case Study on the Menschutkin Reaction

artículo científico publicado en 2019

Are thermodynamic cycles necessary for continuum solvent calculation of pKas and reduction potentials?

artículo científico publicado en 2014

Calculating Free Energy Changes in Continuum Solvation Models

artículo científico publicado en 2016

Chloroform as a hydrogen atom donor in Barton reductive decarboxylation reactions

artículo científico publicado en 2013

Comment on the Correct Use of Continuum Solvent Models ⬇️

artículo científico publicado el 6 de diciembre de 2010

Computational electrochemistry: prediction of liquid-phase reduction potentials.

artículo científico publicado en 2014

Corey-Chaykovsky Reactions of Nitro Styrenes Enable cis-Configured Trifluoromethyl Cyclopropanes

artículo científico publicado en 2017

Deltamides and Croconamides: Expanding the Range of Dual H-bond Donors for Selective Anion Recognition

artículo científico publicado en 2017

Do Better Quality Embedding Potentials Accelerate the Convergence of QM/MM Models? The Case of Solvated Acid Clusters

artículo científico publicado en 2018

Eigenvector centrality for characterization of protein allosteric pathways

artículo científico publicado en 2018

Eisenporphyrin-katalysierte C-H-Funktionalisierung von Indol mit Diazoacetonitril für die Synthese von Tryptaminen

Electron Transfer Assisted by Vibronic Coupling from Multiple Modes.

artículo científico publicado en 2017

Electronic Structure and Triplet-Triplet Energy Transfer in Artificial Photosynthetic Antennas

artículo científico publicado en 2018

Evaluation of a chiral cubane-based Schiff base ligand in asymmetric catalysis reactions

artículo científico publicado en 2012

First-principles prediction of acidities in the gas and solution phase

artículo científico publicado en 2011

First-principles prediction of the pK(a)s of anti-inflammatory oxicams

scientific article published on 01 November 2010

Halide Anion Triggered Reactions of Michael Acceptors with Tropylium Ion

scientific article published on 04 December 2019

Harnessing entropy to direct the bonding/debonding of polymer systems based on reversible chemistry

artículo científico publicado en 2013

How accurate are approximate quantum chemical methods at modelling solute-solvent interactions in solvated clusters?

artículo científico publicado en 2020

Just add sugar for carbohydrate induced self-assembly of curcumin

artículo científico publicado en 2019

Machine-Learning-Assisted Free Energy Simulation of Solution-Phase and Enzyme Reactions

artículo científico publicado en 2021

Mechanistic Studies on the Base-Promoted Conversion of Alkoxy-Substituted, Ring-Fused gem-Dihalocyclopropanes into Furans: Evidence for a Process Involving Electrocyclic Ring Closure of a Carbonyl Ylide Intermediate

artículo científico publicado en 2018

MoD-QM/MM Structural Refinement Method: Characterization of Hydrogen Bonding in the Oxytricha nova G-Quadruplex

artículo científico publicado en 2014

N-Heterocyclic Olefin Catalyzed Silylation and Hydrosilylation Reactions of Hydroxyl and Carbonyl Compounds.

artículo científico publicado en 2017

NHC-Catalyzed Metathesis and Phosphorylation Reactions of Disulfides: Development and Mechanistic Insights

artículo científico publicado en 2017

Nanosecond Dynamics Regulate the MIF-Induced Activity of CD74.

artículo científico publicado en 2018

Nontargeted Identification of Plasma Proteins O-, N-, and S-Transmethylated by O-Methyl Organophosphates

artículo científico publicado en 2020

On the mechanism of protein supercharging in electrospray ionisation mass spectrometry: Effects on charging of additives with short- and long-chain alkyl constituents with carbonate and sulphite terminal groups

artículo científico publicado en 2018

Origin and prediction of highly-specific bond cleavage sites in the thermal activation of intact protein ions

article

Peptidomimetic Star Polymers for Targeting Biological Ion Channels

artículo científico publicado en 2016

Predicting Octanol-Water Partition Coefficients: Are Quantum Mechanical Implicit Solvent Models Better than Empirical Fragment-Based Methods?

scientific article published on 25 July 2019

Probing the remarkable thermal kinetics of visual rhodopsin with E181Q and S186A mutants.

artículo científico publicado en 2017

Protonated alcohols are examples of complete charge-shift bonds

artículo científico publicado en 2014

Quantum Chemical Prediction of Equilibrium Acidities of Ureas, Deltamides, Squaramides and Croconamides.

artículo científico

Resolution and Improved Synthesis of (±)-Arsenicin A: A Natural Adamantane-Type Tetraarsenical Possessing Strong Anti-Acute Promelocytic Leukemia Cell Line Activity

artículo científico publicado en 2012

Reversible cyclopropane ring-cleavage reactions within etheno-bridged [4.3.1]propelladiene frameworks leading to aza- and oxa-[5.6.5.6]fenestratetraenes

artículo científico publicado en 2012

Rhenium(I) tricarbonyl complexes of salicylaldehyde semicarbazones: Synthesis, crystal structures and cytotoxicity ⬇️

artículo científico publicado el 31 de octubre de 2012

Rigid body Brownian dynamics as a tool for studying ion channel blockers

artículo científico publicado en 2012

Structure–function relationships of donor–acceptor Stenhouse adduct photochromic switches

scientific article published on 12 September 2018

Synthesis of (±)-Panduratin A and Related Natural Products Using the High Pressure Diels-Alder Reaction

artículo científico publicado en 2013

The MOD-QM/MM Method: Applications to Studies of Photosystem II and DNA G-Quadruplexes

scientific article published on 15 July 2016

Triplet-triplet energy transfer in artificial and natural photosynthetic antennas

artículo científico publicado en 2017

Tropylium-promoted carbonyl-olefin metathesis reactions

artículo científico publicado en 2018

Tryptamine Synthesis by Iron Porphyrin Catalyzed C−H Functionalization of Indoles with Diazoacetonitrile

artículo científico publicado en 2019

Unanticipated Stickiness of α-Pinene

artículo científico publicado en 2017

Validation of the Distal Effect of Electron-Withdrawing Groups on the Stability of Peptide Enolates and Its Exploitation in the Controlled Stereochemical Inversion of Amino Acid Derivatives

artículo científico publicado en 2011

Visible-Light Photoswitching by Azobenzazoles

artículo científico publicado en 2020

pH-Regulated Nonelectrogenic Anion Transport by Phenylthiosemicarbazones.

artículo científico publicado en 2016

pKaCalculation of Some Biologically Important Carbon Acids - An Assessment of Contemporary Theoretical Procedures

artículo científico publicado en 2009

Lista de obras de Junming Ho

<i>A</i>-value revisited: ring flip energy of chair structures in halogenated cyclohexanes by quantum chemical methods

A universal approach for continuum solvent pK a calculations: are we there yet?

Accelerated computation of free energy profile at ab initio quantum mechanical/molecular mechanical accuracy via a semi-empirical reference potential. II. Recalibrating semi-empirical parameters with force matching

Accelerating the Calculation of Solute-Solvent Interaction Energies through Systematic Molecular Fragmentation

Accurate line shapes from sub-1 cm(-1) resolution sum frequency generation vibrational spectroscopy of α-pinene at room temperature

Are Explicit Solvent Models More Accurate than Implicit Solvent Models? A Case Study on the Menschutkin Reaction

Are thermodynamic cycles necessary for continuum solvent calculation of pKas and reduction potentials?

Calculating Free Energy Changes in Continuum Solvation Models

Chloroform as a hydrogen atom donor in Barton reductive decarboxylation reactions

Comment on the Correct Use of Continuum Solvent Models ⬇️

Computational electrochemistry: prediction of liquid-phase reduction potentials.

Corey-Chaykovsky Reactions of Nitro Styrenes Enable cis-Configured Trifluoromethyl Cyclopropanes

Deltamides and Croconamides: Expanding the Range of Dual H-bond Donors for Selective Anion Recognition

Do Better Quality Embedding Potentials Accelerate the Convergence of QM/MM Models? The Case of Solvated Acid Clusters

Eigenvector centrality for characterization of protein allosteric pathways

Eisenporphyrin-katalysierte C-H-Funktionalisierung von Indol mit Diazoacetonitril für die Synthese von Tryptaminen

Electron Transfer Assisted by Vibronic Coupling from Multiple Modes.

Electronic Structure and Triplet-Triplet Energy Transfer in Artificial Photosynthetic Antennas

Evaluation of a chiral cubane-based Schiff base ligand in asymmetric catalysis reactions

First-principles prediction of acidities in the gas and solution phase

First-principles prediction of the pK(a)s of anti-inflammatory oxicams

Halide Anion Triggered Reactions of Michael Acceptors with Tropylium Ion

Harnessing entropy to direct the bonding/debonding of polymer systems based on reversible chemistry

How accurate are approximate quantum chemical methods at modelling solute-solvent interactions in solvated clusters?

Just add sugar for carbohydrate induced self-assembly of curcumin

Machine-Learning-Assisted Free Energy Simulation of Solution-Phase and Enzyme Reactions

Mechanistic Studies on the Base-Promoted Conversion of Alkoxy-Substituted, Ring-Fused gem-Dihalocyclopropanes into Furans: Evidence for a Process Involving Electrocyclic Ring Closure of a Carbonyl Ylide Intermediate

MoD-QM/MM Structural Refinement Method: Characterization of Hydrogen Bonding in the Oxytricha nova G-Quadruplex

N-Heterocyclic Olefin Catalyzed Silylation and Hydrosilylation Reactions of Hydroxyl and Carbonyl Compounds.

NHC-Catalyzed Metathesis and Phosphorylation Reactions of Disulfides: Development and Mechanistic Insights

Nanosecond Dynamics Regulate the MIF-Induced Activity of CD74.

Nontargeted Identification of Plasma Proteins O-, N-, and S-Transmethylated by O-Methyl Organophosphates

On the mechanism of protein supercharging in electrospray ionisation mass spectrometry: Effects on charging of additives with short- and long-chain alkyl constituents with carbonate and sulphite terminal groups

Origin and prediction of highly-specific bond cleavage sites in the thermal activation of intact protein ions

Peptidomimetic Star Polymers for Targeting Biological Ion Channels

Predicting Octanol-Water Partition Coefficients: Are Quantum Mechanical Implicit Solvent Models Better than Empirical Fragment-Based Methods?

Probing the remarkable thermal kinetics of visual rhodopsin with E181Q and S186A mutants.

Protonated alcohols are examples of complete charge-shift bonds

Quantum Chemical Prediction of Equilibrium Acidities of Ureas, Deltamides, Squaramides and Croconamides.

Resolution and Improved Synthesis of (±)-Arsenicin A: A Natural Adamantane-Type Tetraarsenical Possessing Strong Anti-Acute Promelocytic Leukemia Cell Line Activity

Reversible cyclopropane ring-cleavage reactions within etheno-bridged [4.3.1]propelladiene frameworks leading to aza- and oxa-[5.6.5.6]fenestratetraenes

Rhenium(I) tricarbonyl complexes of salicylaldehyde semicarbazones: Synthesis, crystal structures and cytotoxicity ⬇️

Rigid body Brownian dynamics as a tool for studying ion channel blockers

Structure–function relationships of donor–acceptor Stenhouse adduct photochromic switches

Synthesis of (±)-Panduratin A and Related Natural Products Using the High Pressure Diels-Alder Reaction

The MOD-QM/MM Method: Applications to Studies of Photosystem II and DNA G-Quadruplexes

Triplet-triplet energy transfer in artificial and natural photosynthetic antennas

Tropylium-promoted carbonyl-olefin metathesis reactions

Tryptamine Synthesis by Iron Porphyrin Catalyzed C−H Functionalization of Indoles with Diazoacetonitrile

Unanticipated Stickiness of α-Pinene

Validation of the Distal Effect of Electron-Withdrawing Groups on the Stability of Peptide Enolates and Its Exploitation in the Controlled Stereochemical Inversion of Amino Acid Derivatives

Visible-Light Photoswitching by Azobenzazoles

pH-Regulated Nonelectrogenic Anion Transport by Phenylthiosemicarbazones.

pKaCalculation of Some Biologically Important Carbon Acids - An Assessment of Contemporary Theoretical Procedures