Author details

Full Name

Shuanghong Huo

Affiliation

ORCID

Career Start Year

1999

Papers

H Index

Expertise

CM4AI Collaborator

PMID	Paper Title	Journal Title	Published Year
36442893	Dynamics and Allosteric Information Pathways of Unphosphorylated c-Cbl.	Journal of Chemical Information and Modeling	2022
34224702	Interplay between human islet amyloid polypeptide aggregates and micro-heterogeneous membranes.	Biochimica et Biophysica Acta - Biomembranes	2021
31521094	Approximating dynamic proximity with a hybrid geometry energy-based kernel for diffusion maps.	Journal of Chemical Physics	2019
28962533	Observations on AMBER Force Field Performance under the Conditions of Low pH and High Salt Concentrations.	Journal of Physical Chemistry B	2017
27704824	Long-Range Reactivity Modulations in Geranyl Chloride Derivatives.	Journal of Organic Chemistry	2016
26915811	Inherent structure versus geometric metric for state space discretization.	Journal of Computational Chemistry	2016
26450332	Network representation of conformational transitions between hidden intermediates of Rd-apocytochrome b562.	Journal of Chemical Physics	2015
24913095	Euclidean sections of protein conformation space and their implications in dimensionality reduction.	Proteins: Structure, Function and Bioinformatics	2014
24320303	Graph representation of protein free energy landscape.	Journal of Chemical Physics	2013
23772182	Evaluation of Dimensionality-reduction Methods from Peptide Folding-unfolding Simulations.	Journal of Chemical Theory and Computation	2013
22126397	Effects of two solvent conditions on the free energy landscape of the BBL peripheral subunit binding domain.	Journal of Physical Chemistry B	2012
23133593	Conformations of islet amyloid polypeptide monomers in a membrane environment: implications for fibril formation.	PLoS ONE	2012
21575580	Observation of two families of folding pathways of BBL.	Biophysical Journal	2011
19827141	Quantum mechanical studies on model alpha-pleated sheets.	Journal of Computational Chemistry	2010
18212018	A novel mutant cardiac troponin C disrupts molecular motions critical for calcium binding affinity and cardiomyocyte contractility.	Biophys J	2008
19057640	Formation and growth of oligomers: a Monte Carlo study of an amyloid tau fragment.	PLoS Computational Biology	2008
18024496	Predicting the folding pathway of engrailed homeodomain with a probabilistic roadmap enhanced reaction-path algorithm.	Biophysical Journal	2008
17432900	Structural and pathway complexity of beta-strand reorganization within aggregates of human transthyretin(105-115) peptide.	Journal of Physical Chemistry B	2007
26627147	Temperature-Dependent Probabilistic Roadmap Algorithm for Calculating Variationally Optimized Conformational Transition Pathways.	Journal of Chemical Theory and Computation	2007
18020439	Evaluation of configurational entropy methods from peptide folding-unfolding simulation.	Journal of Physical Chemistry B	2007
17002298	The sequence-dependent unfolding pathway plays a critical role in the amyloidogenicity of transthyretin.	Biochemistry	2006
16965819	Potential influence of Asp in the Ca2+ coordination position 5 of parvalbumin on the calcium-binding affinity: a computational study.	Journal of Inorganic Biochemistry	2006
16553385	Peptide plane can flip in two opposite directions: implication in amyloid formation of transthyretin.	Journal of Physical Chemistry B	2006
15821170	Initial conformational changes of human transthyretin under partially denaturing conditions.	Biophysical Journal	2005
15477096	Intrinsic versus mutation dependent instability/flexibility: a comparative analysis of the structure and dynamics of wild-type transthyretin and its pathogenic variants.	Journal of Structural Biology	2004
12761393	Why is Leu55-->Pro55 transthyretin variant the most amyloidogenic: insights from molecular dynamics simulations of transthyretin monomers.	Protein Science	2003
11913381	Computational alanine scanning of the 1:1 human growth hormone-receptor complex.	Journal of Computational Chemistry	2002
11906282	Molecular dynamics and free energy analyses of cathepsin D-inhibitor interactions: insight into structure-based ligand design.	J Med Chem	2002
12069633	Long time dynamic simulations: exploring the folding pathways of an Alzheimer's amyloid Abeta-peptide.	Accounts of Chemical Research	2002
11123888	Calculating structures and free energies of complex molecules: combining molecular mechanics and continuum models.	Acc Chem Res	2000
10398371	Direct computation of long time processes in peptides and proteins: reaction path study of the coil-to-helix transition in polyalanine.	Proteins: Structure, Function and Bioinformatics	1999