about
Development of a multisite model for Ni(II) ion in solution from thermodynamic and kinetic data.Generation of AMBER force field parameters for zinc centres of M1 and M17 family aminopeptidases.Extending the Nonbonded Cationic Dummy Model to Account for Ion-Induced Dipole Interactions.Molecular mechanism of water reorientational slowing down in concentrated ionic solutions.RNA Structural Dynamics As Captured by Molecular Simulations: A Comprehensive Overview.Poly[n]catenanes: Synthesis of molecular interlocked chains.Analytical hessian fitting schemes for efficient determination of force-constant parameters in molecular mechanics.Computational approaches for deciphering the equilibrium and kinetic properties of iron transport proteins.Force Field Parametrization of Metal Ions from Statistical Learning Techniques.Structural Origin of Metal Specificity in Isatin Hydrolase from Labrenzia aggregata Investigated by Computer Simulations.Accurate Prediction of the Hydration Free Energies of 20 Salts through Adaptive Force Matching and the Proper Comparison with Experimental References.Looking at the Disordered Proteins through the Computational Microscope.Identification of a unique Ca2+-binding site in rat acid-sensing ion channel 3.Many-body effect determines the selectivity for Ca and Mg in proteinsTarget-based drug discovery through inversion of quantitative structure-drug-property relationships and molecular simulation: CA IX-sulphonamide complexesPolarizable Force Field for Molecular Ions Based on the Classical Drude Oscillator
P2860
Q30101000-95431B8E-1C23-4423-90DF-791CF5F918CDQ40104381-A5278299-63AD-43ED-ABDD-AE1E2F06D84BQ45455183-6F8B6061-C888-45E3-8DDF-0836DE722520Q46237406-602BBC17-E246-4BBE-B68B-D8EC0FB8D844Q47235409-16E8523C-59DD-4383-81B1-E6F1D7CFFB65Q47297483-77DDDE73-2DCF-404C-8667-63CDA83E2581Q47609924-2BE97D9B-FA19-4032-A031-890B23051577Q47611075-97902B2D-0800-406B-800D-DA9AAE630EE4Q47616955-20836E3E-FC38-445C-9F04-1CFB98714E2EQ47754291-52C2DF2D-7EE2-4EC0-A18A-4B188B730537Q48002777-4B96FE4F-8666-4EC0-9211-BE09810EC720Q55044856-2DFC1373-E02D-4AEC-AAD3-7716FB275369Q55241951-00A23672-797B-4924-88A5-84F06DC3599AQ56639725-409C7118-799B-4CFC-8AF8-0CA2F8DD5BD9Q58731539-ABFA12F9-C381-4F0A-B474-D9BD3FDC561DQ58845466-2BBFC8D0-D4AE-406C-A044-5820872E2F6A
P2860
description
2017 nî lūn-bûn
@nan
2017 թուականի Յունուարին հրատարակուած գիտական յօդուած
@hyw
2017 թվականի հունվարին հրատարակված գիտական հոդված
@hy
2017年の論文
@ja
2017年論文
@yue
2017年論文
@zh-hant
2017年論文
@zh-hk
2017年論文
@zh-mo
2017年論文
@zh-tw
2017年论文
@wuu
name
Metal Ion Modeling Using Classical Mechanics
@ast
Metal Ion Modeling Using Classical Mechanics
@en
type
label
Metal Ion Modeling Using Classical Mechanics
@ast
Metal Ion Modeling Using Classical Mechanics
@en
prefLabel
Metal Ion Modeling Using Classical Mechanics
@ast
Metal Ion Modeling Using Classical Mechanics
@en
P2860
P1433
P1476
Metal Ion Modeling Using Classical Mechanics
@en
P2093
Kenneth M Merz
Pengfei Li
P2860
P304
P356
10.1021/ACS.CHEMREV.6B00440
P577
2017-01-03T00:00:00Z