Interactions between phosphate and water in solution: a natural bond orbital based analysis in a QM/MM framework
about
Identification and Characterization of Noncovalent Interactions That Drive Binding and Specificity in DD-Peptidases and β-LactamasesCan molecular dynamics and QM/MM solve the penicillin binding protein protonation puzzle?Description of phosphate hydrolysis reactions with the Self-Consistent-Charge Density-Functional-Tight-Binding (SCC-DFTB) theory. 1. Parameterization.The hydrolysis activity of adenosine triphosphate in myosin: a theoretical analysis of anomeric effects and the nature of the transition stateDFTB3: Extension of the self-consistent-charge density-functional tight-binding method (SCC-DFTB).An improved DNA force field for ssDNA interactions with gold nanoparticles.
P2860
Interactions between phosphate and water in solution: a natural bond orbital based analysis in a QM/MM framework
description
article científic
@ca
article scientifique
@fr
articolo scientifico
@it
artigo científico
@pt
bilimsel makale
@tr
scientific article published on 29 March 2007
@en
vedecký článok
@sk
vetenskaplig artikel
@sv
videnskabelig artikel
@da
vědecký článek
@cs
name
Interactions between phosphate ...... analysis in a QM/MM framework
@en
Interactions between phosphate ...... analysis in a QM/MM framework.
@nl
type
label
Interactions between phosphate ...... analysis in a QM/MM framework
@en
Interactions between phosphate ...... analysis in a QM/MM framework.
@nl
prefLabel
Interactions between phosphate ...... analysis in a QM/MM framework
@en
Interactions between phosphate ...... analysis in a QM/MM framework.
@nl
P2860
P356
P1476
Interactions between phosphate ...... analysis in a QM/MM framework
@en
P2093
P2860
P304
P356
10.1021/JP070706G
P407
P577
2007-03-29T00:00:00Z