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The Journal of Physical Chemistry. B
|
September 24, 2015
Isobaric Molecular Dynamics Version of the Generalized Replica Exchange Method (gREM): Liquid-Vapor Equilibrium
Edyta Małolepsza, Maxim Secor, Tom Keyes
The Journal of Physical Chemistry Letters
|
February 25, 2021
Artificial Neural Networks as Mappings between Proton Potentials, Wave Functions, Densities, and Energy Levels
Maxim Secor, Alexander V Soudackov, Sharon Hammes-Schiffer
The Journal of Physical Chemistry Letters
|
October 27, 2021
Artificial Neural Networks as Propagators in Quantum Dynamics
Maxim Secor, Alexander V Soudackov, Sharon Hammes-Schiffer
ACS Central Science
|
March 4, 2020
Inhomogeneity of Interfacial Electric Fields at Vibrational Probes on Electrode Surfaces
Zachary K Goldsmith, Maxim Secor, Sharon Hammes-Schiffer
Journal of Chemical Theory and Computation
|
March 12, 2026
Fast Generation of Simulation-Quality Structural Ensembles of Mixed-Chirality Cyclic Peptides via Diffusion Models
Nomindari Bayaraa, Maxim Secor, Marc L Descoteaux, et al.
Biorxiv : the Preprint Server for Biology
|
January 16, 2026
PeptideMTR: Scaling SMILES-Based Language Models for Therapeutic Peptide Engineering
Aaron L Feller, Maxim Secor, Sebastian Swanson, et al.
Journal of Chemical Information and Modeling
|
July 13, 2026
Scaling SMILES-Based Chemical Language Models for Therapeutic Peptide Engineering
Aaron L Feller, Maxim Secor, Sebastian Swanson, et al.
Journal of Chemical Information and Modeling
|
February 3, 2025
Molecular Dynamics (MD)-Derived Features for Canonical and Noncanonical Amino Acids
Tiffani Hui, Maxim Secor, Minh Ngoc Ho, et al.
Chemical Biology & Drug Design
|
May 3, 2025
Computational Design of a Bicyclic Peptide Inhibitor Targeting the ICOS/ICOS-L Protein-Protein Interaction
Laura Calvo-Barreiro, Maxim Secor, Jovan Damjanovic, et al.
The Journal of Physical Chemistry. A
|
February 7, 2023
Spectroscopic Characterization of the Divalent Metal Docking Motif to Isolated Cyanobenzoate: Direct Observation of Tridentate Binding to <i>ortho</i>-Cyanobenzoate and Implications for the CN Response
Ahmed Mohamed, Sean C Edington, Maxim Secor, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 15) with videos related to
Sort By:
Page
of 2
The Journal of Physical Chemistry. B
|
September 24, 2015
Isobaric Molecular Dynamics Version of the Generalized Replica Exchange Method (gREM): Liquid-Vapor Equilibrium
Edyta Małolepsza, Maxim Secor, Tom Keyes
The Journal of Physical Chemistry Letters
|
February 25, 2021
Artificial Neural Networks as Mappings between Proton Potentials, Wave Functions, Densities, and Energy Levels
Maxim Secor, Alexander V Soudackov, Sharon Hammes-Schiffer
The Journal of Physical Chemistry Letters
|
October 27, 2021
Artificial Neural Networks as Propagators in Quantum Dynamics
Maxim Secor, Alexander V Soudackov, Sharon Hammes-Schiffer
ACS Central Science
|
March 4, 2020
Inhomogeneity of Interfacial Electric Fields at Vibrational Probes on Electrode Surfaces
Zachary K Goldsmith, Maxim Secor, Sharon Hammes-Schiffer
Journal of Chemical Theory and Computation
|
March 12, 2026
Fast Generation of Simulation-Quality Structural Ensembles of Mixed-Chirality Cyclic Peptides via Diffusion Models
Nomindari Bayaraa, Maxim Secor, Marc L Descoteaux, et al.
Biorxiv : the Preprint Server for Biology
|
January 16, 2026
PeptideMTR: Scaling SMILES-Based Language Models for Therapeutic Peptide Engineering
Aaron L Feller, Maxim Secor, Sebastian Swanson, et al.
Journal of Chemical Information and Modeling
|
July 13, 2026
Scaling SMILES-Based Chemical Language Models for Therapeutic Peptide Engineering
Aaron L Feller, Maxim Secor, Sebastian Swanson, et al.
Journal of Chemical Information and Modeling
|
February 3, 2025
Molecular Dynamics (MD)-Derived Features for Canonical and Noncanonical Amino Acids
Tiffani Hui, Maxim Secor, Minh Ngoc Ho, et al.
Chemical Biology & Drug Design
|
May 3, 2025
Computational Design of a Bicyclic Peptide Inhibitor Targeting the ICOS/ICOS-L Protein-Protein Interaction
Laura Calvo-Barreiro, Maxim Secor, Jovan Damjanovic, et al.
The Journal of Physical Chemistry. A
|
February 7, 2023
Spectroscopic Characterization of the Divalent Metal Docking Motif to Isolated Cyanobenzoate: Direct Observation of Tridentate Binding to <i>ortho</i>-Cyanobenzoate and Implications for the CN Response
Ahmed Mohamed, Sean C Edington, Maxim Secor, et al.
Page
of 2