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Maxim Secor

Showing results (1-10 of 15) with videos related to

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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 EquilibriumEdyta 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 LevelsMaxim Secor, Alexander V Soudackov, Sharon Hammes-Schiffer
The Journal of Physical Chemistry Letters|October 27, 2021
Artificial Neural Networks as Propagators in Quantum DynamicsMaxim Secor, Alexander V Soudackov, Sharon Hammes-Schiffer
ACS Central Science|March 4, 2020
Inhomogeneity of Interfacial Electric Fields at Vibrational Probes on Electrode SurfacesZachary 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 ModelsNomindari 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 EngineeringAaron 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 EngineeringAaron 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 AcidsTiffani 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 InteractionLaura 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 ResponseAhmed Mohamed, Sean C Edington, Maxim Secor, et al.
Pageof 2

Showing results (1-10 of 15) with videos related to

Sort By:
Pageof 2
The Journal of Physical Chemistry. B|September 24, 2015
Isobaric Molecular Dynamics Version of the Generalized Replica Exchange Method (gREM): Liquid-Vapor EquilibriumEdyta 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 LevelsMaxim Secor, Alexander V Soudackov, Sharon Hammes-Schiffer
The Journal of Physical Chemistry Letters|October 27, 2021
Artificial Neural Networks as Propagators in Quantum DynamicsMaxim Secor, Alexander V Soudackov, Sharon Hammes-Schiffer
ACS Central Science|March 4, 2020
Inhomogeneity of Interfacial Electric Fields at Vibrational Probes on Electrode SurfacesZachary 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 ModelsNomindari 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 EngineeringAaron 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 EngineeringAaron 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 AcidsTiffani 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 InteractionLaura 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 ResponseAhmed Mohamed, Sean C Edington, Maxim Secor, et al.
Pageof 2