List of works - Wely B Floriano

A cluster-aware graphical user interface for a virtual ligand screening tool.

scientific article published in January 2008

A molecular dynamics study of the correlations between solvent-accessible surface, molecular volume, and folding state.

scientific article

A portable bioinformatics course for upper-division undergraduate curriculum in sciences.

scientific article published in September 2008

An atomic charge model for graphene oxide for exploring its bioadhesive properties in explicit water

scientific article published on 01 July 2014

Binding of solvated peptide (EPLQLKM) with a graphene sheet via simulated coarse-grained approach

scientific article published on 01 May 2014

Creating and virtually screening databases of fluorescently-labelled compounds for the discovery of target-specific molecular probes.

scientific article

Effects of pressure on the structure of metmyoglobin: molecular dynamics predictions for pressure unfolding through a molten globule intermediate.

scientific article

Erratum to: Functional variants of human papillomavirus type 16 demonstrate host genome integration and transcriptional alterations corresponding to their unique cancer epidemiology

scientific article published on 12 December 2016

Favorable adsorption of capped amino acids on graphene substrate driven by desolvation effect.

scientific article

First principles predictions of the structure and function of g-protein-coupled receptors: validation for bovine rhodopsin.

scientific article

Functional variants of human papillomavirus type 16 demonstrate host genome integration and transcriptional alterations corresponding to their unique cancer epidemiology.

scientific article

Genetics of sweet taste preferences

article

HierVLS hierarchical docking protocol for virtual ligand screening of large-molecule databases.

scientific article published in January 2004

Identifying potential selective fluorescent probes for cancer-associated protein carbonic anhydrase IX using a computational approach.

scientific article

Interaction of E. coli outer-membrane protein A with sugars on the receptors of the brain microvascular endothelial cells

scientific article

Making sense of olfaction through predictions of the 3-D structure and function of olfactory receptors

scientific article published in May 2004

Modeling the human PTC bitter-taste receptor interactions with bitter tastants

scientific article

Molecular Dynamics of Fibrinogen Adsorption onto Graphene, but Not onto Poly(ethylene glycol) Surface, Increases Exposure of Recognition Sites That Trigger Immune Response

scientific article published on 11 March 2016

Molecular mechanisms underlying differential odor responses of a mouse olfactory receptor

scientific article published on September 2000

N-(2,4)-dinitrophenyl-L-arginine Interacts with EphB4 and Functions as an EphB4 Kinase Modulator.

scientific article published on 6 February 2015

On the hsp26 of Saccharomyces cerevisiae

scientific article published on 01 May 1994

Paclitaxel is an inhibitor and its boron dipyrromethene derivative is a fluorescent recognition agent for botulinum neurotoxin subtype A.

scientific article published on 29 March 2013

Predicted 3-D structures for mouse I7 and rat I7 olfactory receptors and comparison of predicted odor recognition profiles with experiment

scientific article

Predicted 3D structure for the human beta 2 adrenergic receptor and its binding site for agonists and antagonists

scholarly article

Prediction of structure and function of G protein-coupled receptors

scientific article

Predictions of CCR1 chemokine receptor structure and BX 471 antagonist binding followed by experimental validation

scientific article published on 12 July 2006

Principal component analysis of binding energies for single-point mutants of hT2R16 bound to an agonist correlate with experimental mutant cell response

scientific article

Sweet taste receptor gene variation and aspartame taste in primates and other species

scientific article

Systematic discovery of molecular probes targeting multiple non-orthosteric and spatially distinct sites in the botulinum neurotoxin subtype A (BoNT/A).

scientific article published on 4 March 2015

Test of the Binding Threshold Hypothesis for olfactory receptors: explanation of the differential binding of ketones to the mouse and human orthologs of olfactory receptor 912-93.

scientific article published on March 2005

The MPSim-Dock hierarchical docking algorithm: application to the eight trypsin inhibitor cocrystals.

scientific article

The predicted 3D structure of the human D2 dopamine receptor and the binding site and binding affinities for agonists and antagonists.

scholarly article

The search for a new model structure of beta-factor XIIa

scientific article published on 01 April 2001

List of works by Wely B Floriano

A cluster-aware graphical user interface for a virtual ligand screening tool.

A molecular dynamics study of the correlations between solvent-accessible surface, molecular volume, and folding state.

A portable bioinformatics course for upper-division undergraduate curriculum in sciences.

An atomic charge model for graphene oxide for exploring its bioadhesive properties in explicit water

Binding of solvated peptide (EPLQLKM) with a graphene sheet via simulated coarse-grained approach

Creating and virtually screening databases of fluorescently-labelled compounds for the discovery of target-specific molecular probes.

Effects of pressure on the structure of metmyoglobin: molecular dynamics predictions for pressure unfolding through a molten globule intermediate.

Erratum to: Functional variants of human papillomavirus type 16 demonstrate host genome integration and transcriptional alterations corresponding to their unique cancer epidemiology

Favorable adsorption of capped amino acids on graphene substrate driven by desolvation effect.

First principles predictions of the structure and function of g-protein-coupled receptors: validation for bovine rhodopsin.

Functional variants of human papillomavirus type 16 demonstrate host genome integration and transcriptional alterations corresponding to their unique cancer epidemiology.

Genetics of sweet taste preferences

HierVLS hierarchical docking protocol for virtual ligand screening of large-molecule databases.

Identifying potential selective fluorescent probes for cancer-associated protein carbonic anhydrase IX using a computational approach.

Interaction of E. coli outer-membrane protein A with sugars on the receptors of the brain microvascular endothelial cells

Making sense of olfaction through predictions of the 3-D structure and function of olfactory receptors

Modeling the human PTC bitter-taste receptor interactions with bitter tastants

Molecular Dynamics of Fibrinogen Adsorption onto Graphene, but Not onto Poly(ethylene glycol) Surface, Increases Exposure of Recognition Sites That Trigger Immune Response

Molecular mechanisms underlying differential odor responses of a mouse olfactory receptor

N-(2,4)-dinitrophenyl-L-arginine Interacts with EphB4 and Functions as an EphB4 Kinase Modulator.

On the hsp26 of Saccharomyces cerevisiae

Paclitaxel is an inhibitor and its boron dipyrromethene derivative is a fluorescent recognition agent for botulinum neurotoxin subtype A.

Predicted 3-D structures for mouse I7 and rat I7 olfactory receptors and comparison of predicted odor recognition profiles with experiment

Predicted 3D structure for the human beta 2 adrenergic receptor and its binding site for agonists and antagonists

Prediction of structure and function of G protein-coupled receptors

Predictions of CCR1 chemokine receptor structure and BX 471 antagonist binding followed by experimental validation

Principal component analysis of binding energies for single-point mutants of hT2R16 bound to an agonist correlate with experimental mutant cell response

Sweet taste receptor gene variation and aspartame taste in primates and other species

Systematic discovery of molecular probes targeting multiple non-orthosteric and spatially distinct sites in the botulinum neurotoxin subtype A (BoNT/A).

Test of the Binding Threshold Hypothesis for olfactory receptors: explanation of the differential binding of ketones to the mouse and human orthologs of olfactory receptor 912-93.

The MPSim-Dock hierarchical docking algorithm: application to the eight trypsin inhibitor cocrystals.

The predicted 3D structure of the human D2 dopamine receptor and the binding site and binding affinities for agonists and antagonists.

The search for a new model structure of beta-factor XIIa