Lista de obras -

A bowl-shaped fullerene encapsulates a water into the cage.

artículo científico publicado en 2004

CHARMM Force-Fields with Modified Polyphosphate Parameters Allow Stable Simulation of the ATP-Bound Structure of Ca(2+)-ATPase.

artículo científico publicado en 2014

Characteristic reactions and properties of C-apical O-equatorial (O-cis) spirophosphoranes: effect of the sigma(P)(-)(O) orbital in the equatorial plane and isolation of a hexacoordinate oxaphosphetane as an intermediate of the Wittig type reaction

artículo científico publicado en 2002

Charge transfer and OH vibrational frequency red shifts in nitrate-water clusters.

artículo científico publicado en 2008

Confident identification of isomericN-glycan structures by combined ion mobility mass spectrometry and hydrophilic interaction liquid chromatography

article

Correction to "Mosaic of Water Orientation Structures at a Neutral Zwitterionic Lipid/Water Interface Revealed by Molecular Dynamics Simulations".

artículo científico publicado en 2014

Crystal structure of α5β1 integrin ectodomain: Atomic details of the fibronectin receptor ⬇️

artículo científico publicado el 26 de marzo de 2012

Dynamics and Interactions of OmpF and LPS: Influence on Pore Accessibility and Ion Permeability

artículo científico publicado en 2016

Encounter complexes and hidden poses of kinase-inhibitor binding on the free-energy landscape

scientific article published on 26 August 2019

Experimental determination of the nN --> sigma*P-O interaction energy of O-equatorial C-apical phosphoranes bearing a primary amino group

artículo científico publicado en 2006

Geometrically associative yet electronically dissociative character in the transition state of enzymatic reversible phosphorylation.

artículo científico publicado en 2011

How is the CH/pi interaction important for molecular recognition?

scientific article published on 10 February 2004

Interionic hydration structures of NaCl in aqueous solution: a combined study of quantum mechanical cluster calculations and QM/EFP-MD simulations.

artículo científico publicado en 2012

Mosaic of Water Orientation Structures at a Neutral Zwitterionic Lipid/Water Interface Revealed by Molecular Dynamics Simulations.

artículo científico publicado en 2014

On the Ultrafast Infrared Spectroscopy of Anion Hydration Shell Hydrogen Bond Dynamics

artículo científico publicado en 2006

Solvent electronic polarization effects on Na(+)-Na(+) and Cl(-)-Cl(-) pair associations in aqueous solution.

artículo científico publicado en 2013

Structural diversity and changes in conformational equilibria of biantennary complex-type N-glycans in water revealed by replica-exchange molecular dynamics simulation.

artículo científico publicado en 2011

The inherent flexibility of receptor binding domains in SARS-CoV-2 spike protein

artículo científico publicado en 2022

Vibrational symmetry breaking of NO3- in aqueous solution: NO asymmetric stretch frequency distribution and mean splitting

scientific article published on 01 January 2010

Lista de obras de

A bowl-shaped fullerene encapsulates a water into the cage.

CHARMM Force-Fields with Modified Polyphosphate Parameters Allow Stable Simulation of the ATP-Bound Structure of Ca(2+)-ATPase.

Characteristic reactions and properties of C-apical O-equatorial (O-cis) spirophosphoranes: effect of the sigma(P)(-)(O) orbital in the equatorial plane and isolation of a hexacoordinate oxaphosphetane as an intermediate of the Wittig type reaction

Charge transfer and OH vibrational frequency red shifts in nitrate-water clusters.

Confident identification of isomericN-glycan structures by combined ion mobility mass spectrometry and hydrophilic interaction liquid chromatography

Correction to "Mosaic of Water Orientation Structures at a Neutral Zwitterionic Lipid/Water Interface Revealed by Molecular Dynamics Simulations".

Crystal structure of α5β1 integrin ectodomain: Atomic details of the fibronectin receptor ⬇️

Dynamics and Interactions of OmpF and LPS: Influence on Pore Accessibility and Ion Permeability

Encounter complexes and hidden poses of kinase-inhibitor binding on the free-energy landscape

Experimental determination of the nN --> sigma*P-O interaction energy of O-equatorial C-apical phosphoranes bearing a primary amino group

Geometrically associative yet electronically dissociative character in the transition state of enzymatic reversible phosphorylation.

How is the CH/pi interaction important for molecular recognition?

Interionic hydration structures of NaCl in aqueous solution: a combined study of quantum mechanical cluster calculations and QM/EFP-MD simulations.

Mosaic of Water Orientation Structures at a Neutral Zwitterionic Lipid/Water Interface Revealed by Molecular Dynamics Simulations.

On the Ultrafast Infrared Spectroscopy of Anion Hydration Shell Hydrogen Bond Dynamics

Solvent electronic polarization effects on Na(+)-Na(+) and Cl(-)-Cl(-) pair associations in aqueous solution.

Structural diversity and changes in conformational equilibria of biantennary complex-type N-glycans in water revealed by replica-exchange molecular dynamics simulation.

The inherent flexibility of receptor binding domains in SARS-CoV-2 spike protein

Vibrational symmetry breaking of NO3- in aqueous solution: NO asymmetric stretch frequency distribution and mean splitting