Parameterization of highly charged metal ions using the 12-6-4 LJ-type nonbonded model in explicit water.
about
Metal Ion Modeling Using Classical MechanicsFree Energy-Based Virtual Screening and Optimization of RNase H Inhibitors of HIV-1 Reverse Transcriptase.Chiral sensing of amino acids and proteins chelating with Eu(III) complexes by Raman optical activity spectroscopy.Computational study of Th4+ and Np4+ hydration and hydrolysis of Th4+ from first principles.Extracting water and ion distributions from solution x-ray scattering experiments.Extending the Nonbonded Cationic Dummy Model to Account for Ion-Induced Dipole Interactions.Chiral expression from molecular to macroscopic level via pH modulation in terbium coordination polymers.RNA Structural Dynamics As Captured by Molecular Simulations: A Comprehensive Overview.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.GENESIS 1.1: A hybrid-parallel molecular dynamics simulator with enhanced sampling algorithms on multiple computational platforms.FbpA iron storage and release are governed by periplasmic microenvironments.Prediction of Protein-compound Binding Energies from Known Activity Data: Docking-score-based Method and its Applications.Partial hessian fitting for determining force constant parameters in molecular mechanics.Lanthanides Report Calcium Sensor in the Vestibule of Ryanodine Receptor.An anthracene-appended 2:3 copillar[5]arene: synthesis, computational studies, and application in highly selective fluorescence sensing for Fe(III) ions.How phosphorylation influences E1 subunit pyruvate dehydrogenase: A computational studyISOLDE: a physically realistic environment for model building into low-resolution electron-density maps
P2860
Q30363020-04A2C5AE-602F-4987-9342-DE4FF216C3CAQ36155983-C5AD9D8F-705A-4F04-B7BA-00FA6C40B22CQ38831469-129756CA-8B60-4E55-9962-DD5B8E7572C6Q38961187-45A9A1E0-9521-4AC2-A002-D904BD68CA6AQ39700204-C0A30D39-9CE0-44EC-AF35-06823D8385AEQ45455183-D0B011F1-52E8-4B43-A20D-00BDF715A319Q47137710-46996492-2469-4990-BABC-0A393EC300BDQ47235409-839A1907-1197-42AA-BE57-D0D95164F640Q47609924-A35B47E1-6629-4030-A571-66984BA8207DQ47611075-A20B8F7E-283A-4726-94CE-89F1B18A8032Q47616955-D63CB8F6-5DE8-4F87-B09D-C6354276B9E2Q47761095-557C301E-4482-4D74-99A0-E056F85C61A3Q48248861-B0A1314C-29C6-4BA3-BCF6-1462023D24A3Q50015692-A0F7ADE7-B940-44AB-AC9A-FD3D5D833D7CQ50598420-1AB43189-0B18-49F3-8702-62694497344AQ50983966-0D18A2D7-7E43-4B7C-8DE6-5FE4B2A70BF1Q51788999-D56ACFF7-6980-40A7-8E78-D1F7C647C80CQ57050314-F36C3F8E-5677-4021-AFB7-C614AE1A5124Q57753884-6C631EFC-7A59-4B7B-A0B2-1615FF8D23DF
P2860
Parameterization of highly charged metal ions using the 12-6-4 LJ-type nonbonded model in explicit water.
description
2014 nî lūn-bûn
@nan
2014 թուականի Սեպտեմբերին հրատարակուած գիտական յօդուած
@hyw
2014 թվականի սեպտեմբերին հրատարակված գիտական հոդված
@hy
2014年の論文
@ja
2014年論文
@yue
2014年論文
@zh-hant
2014年論文
@zh-hk
2014年論文
@zh-mo
2014年論文
@zh-tw
2014年论文
@wuu
name
Parameterization of highly cha ...... onded model in explicit water.
@ast
Parameterization of highly cha ...... onded model in explicit water.
@en
type
label
Parameterization of highly cha ...... onded model in explicit water.
@ast
Parameterization of highly cha ...... onded model in explicit water.
@en
prefLabel
Parameterization of highly cha ...... onded model in explicit water.
@ast
Parameterization of highly cha ...... onded model in explicit water.
@en
P2860
P356
P1476
Parameterization of highly cha ...... onded model in explicit water.
@en
P2093
Kenneth M Merz
Lin Frank Song
P2860
P304
P356
10.1021/JP505875V
P407
P50
P577
2014-09-12T00:00:00Z