Long-range electrostatic corrections in multipolar/polarizable QM/MM simulations. - sprookjes - yvandenbroek - TriplyDB

Long-range electrostatic corrections in multipolar/polarizable QM/MM simulations.

Long-range electrostatic corrections in multipolar/polarizable QM/MM simulations.

http://www.wikidata.org/entity/Q37730050

about

Quantum mechanical force fields for condensed phase molecular simulations.Weighted Ensemble Simulation: Review of Methodology, Applications, and Software.

P2860

Q38640989-B79CFC27-7129-4FEF-8BDA-B8DE2FC71FB1 Q39182237-88230906-B1B5-4E72-8B95-17FFADB1E2BD

P2860

Long-range electrostatic corrections in multipolar/polarizable QM/MM simulations.

http://www.wikidata.org/entity/Q37730050

description

article científic

@ca

article scientifique

@fr

articolo scientifico

@it

artigo científico

@pt

bilimsel makale

@tr

scientific article published on 17 June 2016

@en

vedecký článok

@sk

vetenskaplig artikel

@sv

videnskabelig artikel

@da

vědecký článek

@cs

name

Long-range electrostatic corrections in multipolar/polarizable QM/MM simulations.

@en

Long-range electrostatic corrections in multipolar/polarizable QM/MM simulations.

@nl

type

label

Long-range electrostatic corrections in multipolar/polarizable QM/MM simulations.

@en

Long-range electrostatic corrections in multipolar/polarizable QM/MM simulations.

@nl

prefLabel

Long-range electrostatic corrections in multipolar/polarizable QM/MM simulations.

@en

Long-range electrostatic corrections in multipolar/polarizable QM/MM simulations.

@nl

P1433

Q37730050-3178548D-512F-4F61-AF21-B94C8AA2EB9F

P1476

Q37730050-FDB4DF15-E999-4ABC-822B-F0C0D256FD05

P2093

Q37730050-166DCCA9-119E-453F-837A-7FA1AF619E7A

Q37730050-C43532B2-FD43-459C-B2BA-6BE8B0EE4266

P2860

Q37730050-01E5C89F-6B01-4441-B895-20C1E9553D43

Q37730050-0315BF2D-252E-40D7-A66A-5F36E8FB9207

Q37730050-1F6370B6-AF6A-4BB5-9033-F112A587E121

Q37730050-25480932-D7ED-4C19-86A3-6A09A7EE3D98

Q37730050-52F3017F-6037-44FD-8B7C-A9824925F649

Q37730050-55A54BD9-3EDE-48D3-A39F-53DBC9BD39D1

Q37730050-57151DCF-F526-4CE9-B10A-65BB7F608071

Q37730050-67C71D67-B1E3-4F8D-8CDB-D9739B7199ED

Q37730050-6AEA3E6D-8000-4E97-9971-72BA4B4B630C

Q37730050-6CE925B7-59D0-49BC-8C7B-AF1EE44DCA05

P2888

Q37730050-9512F460-1B80-4494-A762-9EE04A872B3D

P31

Q37730050-65832013-5C39-4322-A4A3-40FC26B295B6

P356

Q37730050-C1269994-D3AE-4F49-A60B-CFA8F7B0E12C

P433

Q37730050-72F37249-3259-4165-BC25-B1EB306B56FF

P478

Q37730050-38E53B5E-D7D1-4430-99A9-DF6D592134E4

P50

Q37730050-65A9F829-0830-4726-8C73-A40E899FEDEE

P577

Q37730050-9F462A84-87A1-42FD-B3BF-CF23D7F84D42

P698

Q37730050-416ABE1D-C723-444F-A7AC-D193056838BA

P932

Q37730050-17A72CC5-FA66-45B9-9044-45BF22E888FC

P356

S00214-016-1923-8

P1433

Theoretical Chemistry Accounts

P1476

Long-range electrostatic corrections in multipolar/polarizable QM/MM simulations.

@en

P2093

Eric G Kratz

http://www.w3.org/2001/XMLSchema#string

Robert E Duke

http://www.w3.org/2001/XMLSchema#string

P2860

Comparison of simple potential functions for simulating liquid water

A five-site model for liquid water and the reproduction of the density anomaly by rigid, nonpolarizable potential functions

Analysis and evaluation of channel models: simulations of alamethicin.

The Polarizable Atomic Multipole-based AMOEBA Force Field for Proteins.

Multipolar Ewald methods, 1: theory, accuracy, and performance

A new smoothing function to introduce long-range electrostatic effects in QM/MM calculations.

Treating electrostatics with Wolf summation in combined quantum mechanical and molecular mechanical simulations

Revised Parameters for the AMOEBA Polarizable Atomic Multipole Water Model.

LICHEM: A QM/MM program for simulations with multipolar and polarizable force fields.

Ambient-Potential Composite Ewald Method for ab Initio Quantum Mechanical/Molecular Mechanical Molecular Dynamics Simulation

P2888

s00214-016-1923-8

P31

scholarly article

P356

10.1007/S00214-016-1923-8

http://www.w3.org/2001/XMLSchema#string

P433

7

http://www.w3.org/2001/XMLSchema#string

P478

135

http://www.w3.org/2001/XMLSchema#string

P50

Gerardo Andrés Cisneros

P577

2016-06-17T00:00:00Z

http://www.w3.org/2001/XMLSchema#dateTime

P698

28367078

http://www.w3.org/2001/XMLSchema#string

P932

5373107

http://www.w3.org/2001/XMLSchema#string