Year of publication
Type of media
Subject
Type of material
Licence
Language
121–140 of 338 hits
Sort by:
Sort by:
-
Hierarchical clustering analysis of flexible GBR 12909 dialkyl piperazine and piperidine analogs
Online Contents | 2006|Keywords: Molecular mechanics -
A structural and energetics analysis of the binding of a series of N-acetylneuraminic-acid-based inhibitors to influenza virus sialidase
Online Contents | 1996|Keywords: Molecular mechanics -
In Silico Identification of the Potential Drug Resistance Sites over 2009 Influenza A (H1N1) Virus Neuraminidase
American Chemical Society | 2010|Keywords: molecular mechanics generalized Born surface area (MM-GBSA) -
Drude polarizable force field for aliphatic ketones and aldehydes, and their associated acyclic carbohydrates
Springer Verlag | 2017|Keywords: Molecular mechanics -
Identification of potent L,D-transpeptidase 5 inhibitors for Mycobacterium tuberculosis as potential anti-TB leads: virtual screening and molecular dynamics simulations
Online Contents | 2019|Keywords: Molecular mechanics/generalized born surface area (MM-GBSA) -
Computational insights into the suicide inhibition of Plasmodium falciparum Fk506-binding protein 35
Elsevier | 2015|Keywords: Quantum mechanics/molecular mechanics -
Determination of the three‐dimensional, solution‐phase structure of the macrolide antibiotic oxolide in CD2Cl2 and D2O from NMR constraints
Wiley | 2005|Keywords: molecular mechanics -
Empirical force field calculations on sandalwood odor molecules
National licenceElsevier | 1987|Keywords: molecular mechanics -
Ab initio molecular simulations for proposing novel peptide inhibitors blocking the ligand-binding pocket of urokinase receptor
Online Contents | 2014|Keywords: Molecular mechanics -
Reassignment of NMR spectra and conformational study of the sesquiterpene lactone goyazensolide
Wiley | 2001|Keywords: molecular mechanics -
Improved Parameters for Generating Partial Charges: Correlation with Observed Dipole Moments
Online Contents | 1999|Keywords: Molecular mechanics -
The effect of numerical error on the reproducibility of molecular geometry optimizations
Springer Verlag | 2007|Keywords: Molecular mechanics -
Comparison between Generalized-Born and Poisson–Boltzmann methods in physics-based scoring functions for protein structure prediction
Online Contents | 2005|Keywords: Molecular mechanics -
Computer-simulation-based selection of optimal monomer for imprinting of tri-O-acetyl adenosine in a polymer matrix: calculations for benzene solution
Online Contents | 2016|Keywords: Molecular mechanics -
Montmorillonite and Beidellite Intercalated with Tetramethylammonium Cations
Online Contents | 2000|Keywords: Molecular mechanics -
Mechanical properties of chiral and achiral silicon carbide nanotubes under oxygen chemisorption
Online Contents | 2015|Keywords: Molecular mechanics model -
Binding, Molecular Mechanics, and Thermodynamics of Cyclodextrin Inclusion Complexes with Ketoprofen in Aqueous Medium
Taylor & Francis Verlag | 1998|Keywords: Molecular mechanics -
Computer simulation based selection of optimal monomer for imprinting of tri-O-acetiladenosine in polymer matrix: vacuum calculations
Online Contents | 2012|Keywords: Molecular mechanics -
An atomistic model of passive membrane permeability: application to a series of FDA approved drugs
Springer Verlag | 2007|Keywords: Molecular mechanics -
Selenoglycosides in silico: ab initio-derived reparameterization of MM4, conformational analysis using histo-blood group ABH antigens and lectin docking as indication for potential of bioactivity
Springer Verlag | 2010|Keywords: Molecular mechanics
Send my search to (beta)
Send your search query (search terms without filters) to other databases, portals and catalogues to find more interesting hits.
Dimensions:
full data search
or
title and abstract search
Dimensions is a database for abstracts and citations that links information on research funding with the resulting publications, studies and patents.
TIB AV portal
In the TIB AV-Portal, audiovisual media from science and teaching can be foundand own scientific videos can be published.
Specialised Information Service for Mobility and Transport Research (FID move)
Open Research Knowledge Graph (ORKG)
The FID move can be used to search for subject-specific literature, research data and other information from mobility and transport research.
The Open Research Knowledge Graph provides structured descriptions of research content and makes it comparable.
Common Union Catalogue (GVK)
Freely accessible part of the collaborative K10plus catalogue with materials relevant for interlibrary loan and direct delivery services.