Rapid and Accurate Assessment of GPCR-ligand Interactions Using the Fragment Molecular Orbital-Based Density-Functional Tight-Binding Method

Journal of Computational Chemistry - United States
doi 10.1002/jcc.24850
Full Text
Abstract

Available in full text

Date
Authors
Publisher

Wiley

Related search

Analysis of Ligand Binding Specificity of Estrogen Receptor by the Fragment Molecular Orbital Method

Journal of Computer Chemistry, Japan
2018English

STUDY OF TiO2 NANOPARTICLES’ STRUCTURE USING DENSITY FUNCTIONAL THEORY BASED TIGHT BINDING METHOD

Scientific Journal of Tra Vinh University
2019English

Molecular Electrostatic Potential and Electron Density of Large Systems in Solution Computed With the Fragment Molecular Orbital Method

English

Structure and Stability of Molecular Crystals With Many-Body Dispersion-Inclusive Density Functional Tight Binding

English

Efficient Calculation of Fragment Molecular Orbital Method With Continuous Multipole Method

Journal of Computer Aided Chemistry
2012English

Generalized Hybrid-Orbital Method for Combining Density Functional Theory With Molecular Mechanicals

ChemPhysChem
Theoretical ChemistryPhysicalOpticsAtomicMolecular Physics,
2005English

Large-Scale MP2 Calculations on the Blue Gene Architecture Using the Fragment Molecular Orbital Method

Journal of Chemical Theory and Computation
Theoretical ChemistryComputer Science ApplicationsPhysical
2011English

Density Functional Based Tight Binding Study of C2 and CN Deposition on (100) Diamond Surface

Materials Research Society Symposium - Proceedings
Mechanics of MaterialsMaterials ScienceCondensed Matter PhysicsMechanical Engineering
2001English

A Combined Effective Fragment Potential–fragment Molecular Orbital Method. I. The Energy Expression and Initial Applications

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2009English

Amanote Research

Note-taking for researchers

Follow Amanote

© 2024 Amaplex Software S.P.R.L. All rights reserved.

Privacy PolicyRefund Policy