SwissParam: A fast force field generation tool for small organic molecules
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A systematic framework for molecular dynamics simulations of protein post-translational modificationsVienna-PTM web server: a toolkit for MD simulations of protein post-translational modificationsSwissDock, a protein-small molecule docking web service based on EADock DSSCTA095, a novel Etk and Src dual inhibitor, induces apoptosis in prostate cancer cells and overcomes resistance to Src inhibitorsDynamic Modelling Reveals 'Hotspots' on the Pathway to Enzyme-Substrate Complex Formation.Aurone synthase is a catechol oxidase with hydroxylase activity and provides insights into the mechanism of plant polyphenol oxidases.Communication over the network of binary switches regulates the activation of A2A adenosine receptorInvestigation of allosteric modulation mechanism of metabotropic glutamate receptor 1 by molecular dynamics simulations, free energy and weak interaction analysisStructural and Functional Characterization of DUF1471 Domains of Salmonella Proteins SrfN, YdgH/SssB, and YahOInterconversion of functional motions between mesophilic and thermophilic adenylate kinasesLipid receptor S1P₁ activation scheme concluded from microsecond all-atom molecular dynamics simulationsIdentifying cytochrome p450 functional networks and their allosteric regulatory elementsIn silico mechanistic profiling to probe small molecule binding to sulfotransferasesMolecular investigations of protriptyline as a multi-target directed ligand in Alzheimer's diseaseRational design of small-molecule stabilizers of spermine synthase dimer by virtual screening and free energy-based approachMultivariate PLS Modeling of Apicomplexan FabD-Ligand Interaction Space for Mapping Target-Specific Chemical Space and Pharmacophore FingerprintsG-Protein/β-Arrestin-Linked Fluctuating Network of G-Protein-Coupled Receptors for Predicting Drug Efficacy and Bias Using Short-Term Molecular Dynamics SimulationExploration of Novel Inhibitors for Bruton's Tyrosine Kinase by 3D QSAR Modeling and Molecular Dynamics SimulationInsight on Mutation-Induced Resistance from Molecular Dynamics Simulations of the Native and Mutated CSF-1R and KITZINC 15--Ligand Discovery for EveryoneUnveiling the gating mechanism of ECF transporter RibUPrediction of the permeability of neutral drugs inferred from their solvation propertiesInhibition of the MurA enzyme in Fusobacterium nucleatum by potential inhibitors identified through computational and in vitro approaches.A structural mechanism for bacterial autotransporter glycosylation by a dodecameric heptosyltransferase familyA conformational restriction in the influenza A virus neuraminidase binding site by R152 results in a combinational effect of I222T and H274Y on oseltamivir resistance.Historical contingency and its biophysical basis in glucocorticoid receptor evolution.Lead discovery for Alzheimer's disease related target protein RbAp48 from traditional Chinese medicine.Role of leukotriene A4 hydrolase aminopeptidase in the pathogenesis of emphysema.Joyce and Ulysses: integrated and user-friendly tools for the parameterization of intramolecular force fields from quantum mechanical data.Susceptible gene of stasis-stagnation constitution from genome-wide association study related to cardiovascular disturbance and possible regulated traditional Chinese medicine.Targeting Btk/Etk of prostate cancer cells by a novel dual inhibitorCompetitive solvent-molecule interactions govern primary processes of diphenylcarbene in solvent mixturesFlexibility and binding affinity in protein-ligand, protein-protein and multi-component protein interactions: limitations of current computational approaches.Computational study of pH-dependent oligomerization and ligand binding in Alt a 1, a highly allergenic protein with a unique fold.Protein post-translational modifications: In silico prediction tools and molecular modeling.Potential Protein Phosphatase 2A Agents from Traditional Chinese Medicine against Cancer.Potential retinoid x receptor agonists for treating Alzheimer's disease from traditional chinese medicine.In Silico Investigation of Potential PARP-1 Inhibitors from Traditional Chinese Medicine.Lead Screening for HIV of C-C Chemokine Receptor Type 5 Receptor Inhibited by Traditional Chinese Medicine.Structural requirements of the human sodium-dependent bile acid transporter (hASBT): role of 3- and 7-OH moieties on binding and translocation of bile acids.
P2860
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P2860
SwissParam: A fast force field generation tool for small organic molecules
description
2011 nî lūn-bûn
@nan
2011 թուականի Մայիսին հրատարակուած գիտական յօդուած
@hyw
2011 թվականի մայիսին հրատարակված գիտական հոդված
@hy
2011年の論文
@ja
2011年論文
@yue
2011年論文
@zh-hant
2011年論文
@zh-hk
2011年論文
@zh-mo
2011年論文
@zh-tw
2011年论文
@wuu
name
SwissParam: A fast force field generation tool for small organic molecules
@ast
SwissParam: A fast force field generation tool for small organic molecules
@en
SwissParam: A fast force field generation tool for small organic molecules
@nl
type
label
SwissParam: A fast force field generation tool for small organic molecules
@ast
SwissParam: A fast force field generation tool for small organic molecules
@en
SwissParam: A fast force field generation tool for small organic molecules
@nl
prefLabel
SwissParam: A fast force field generation tool for small organic molecules
@ast
SwissParam: A fast force field generation tool for small organic molecules
@en
SwissParam: A fast force field generation tool for small organic molecules
@nl
P2093
P2860
P3181
P356
P1476
SwissParam: A fast force field generation tool for small organic molecules
@en
P2093
Aurélien Grosdidier
Michel A. Cuendet
Olivier Michielin
Vincent Zoete
P2860
P304
P3181
P356
10.1002/JCC.21816
P577
2011-05-03T00:00:00Z