General van der Waals potential for common organic molecules.

about

Estimating and modeling charge transfer from the SAPT induction energy.

P2860

Q38648156-099270C5-A483-4B92-B89A-CFA9EFE51020

P2860

General van der Waals potential for common organic molecules.

Item

http://www.wikidata.org/entity/Q42314941

description

2016 nî lūn-bûn

@nan

2016年の論文

@ja

2016年論文

@yue

2016年論文

@zh-hant

2016年論文

@zh-hk

2016年論文

@zh-mo

2016年論文

@zh-tw

2016年论文

@wuu

2016年论文

@zh

2016年论文

@zh-cn

name

General van der Waals potential for common organic molecules.

@en

General van der Waals potential for common organic molecules.

@nl

type

Item

label

General van der Waals potential for common organic molecules.

@en

General van der Waals potential for common organic molecules.

@nl

prefLabel

General van der Waals potential for common organic molecules.

@en

General van der Waals potential for common organic molecules.

@nl

P1476

General van der Waals potential for common organic molecules.

@en

P2093

Pengyu Ren

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

Qiantao Wang

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

Rui Qi

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

P2860

The Amber biomolecular simulation programs

GROMACS 4: Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

Approaches to the description and prediction of the binding affinity of small-molecule ligands to macromolecular receptors

An Empirical Polarizable Force Field Based on the Classical Drude Oscillator Model: Development History and Recent Applications

Calculating structures and free energies of complex molecules: combining molecular mechanics and continuum models

Current status of the AMOEBA polarizable force field

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

Modeling organochlorine compounds and the σ-hole effect using a polarizable multipole force field

Thermodynamic integration to predict host-guest binding affinities.

CHARMM fluctuating charge force field for proteins: I parameterization and application to bulk organic liquid simulations.

P304

4911-4919

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

P31

scholarly article

P356

10.1016/J.BMC.2016.07.062

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

P407

English

P433

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

P478

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

P577

2016-08-02T00:00:00Z

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

P698

27519463

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

P932

5360186

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

General van der Waals potential for common organic molecules.

about

P2860

P2860

General van der Waals potential for common organic molecules.

description

name

type

label

prefLabel

P1433

P1476

P2093

P2860

P304

P31

P356

P407

P433

P478

P577

P698

P932

P356

P1433

P1476

P2093

P2860

P304

P31

P356

P407

P433

P478

P577

P698

P932