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SwissParam: A fast force field generation tool for small organic molecules

Journal of computational chemistry, 2011-08, Vol.32 (11), p.2359-2368

2011

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Implementation of the CHARMM Force Field in GROMACS: Analysis of Protein Stability Effects from Correction Maps, Virtual Interaction Sites, and Water Models

Journal of chemical theory and computation, 2010-02, Vol.6 (2), p.459-466

2010

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Truly privacy-preserving federated analytics for precision medicine with multiparty homomorphic encryption

Nature communications, 2021-10, Vol.12 (1), p.5910-5910, Article 5910

2021

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Allosteric Mechanisms of Molecular Machines at the Membrane: Transport by Sodium-Coupled Symporters

Chemical reviews, 2016-06, Vol.116 (11), p.6552-6587

2016

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Free Energy Reconstruction from Metadynamics or Adiabatic Free Energy Dynamics Simulations

Journal of chemical theory and computation, 2014-08, Vol.10 (8), p.2975-2986

2014

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Protein-Protein Interaction Investigated by Steered Molecular Dynamics: The TCR-pMHC Complex

Biophysical journal, 2008-10, Vol.95 (8), p.3575-3590

2008

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Transport domain unlocking sets the uptake rate of an aspartate transporter

Nature (London), 2015-02, Vol.518 (7537), p.68-73

2015

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Heating and flooding: a unified approach for rapid generation of free energy surfaces

The Journal of chemical physics, 2012-07, Vol.137 (2), p.024102-024102

2012

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Author Correction: Truly privacy-preserving federated analytics for precision medicine with multiparty homomorphic encryption

Nature communications, 2021-11, Vol.12 (1), p.6649-6649, Article 6649

2021

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How Accurately Do Current Force Fields Predict Experimental Peptide Conformations? An Adiabatic Free Energy Dynamics Study

The journal of physical chemistry. B, 2014-06, Vol.118 (24), p.6539-6552

2014

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On the calculation of velocity-dependent properties in molecular dynamics simulations using the leapfrog integration algorithm

The Journal of chemical physics, 2007-11, Vol.127 (18), p.184102-184102-8

2007

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Interactive process mining of cancer treatment sequences with melanoma real-world data

Frontiers in oncology, 2023-03, Vol.13, p.1043683-1043683

2023

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Unusual mode of dimerization of retinitis pigmentosa-associated F220C rhodopsin

Scientific reports, 2021-05, Vol.11 (1), p.10536-10536, Article 10536

2021

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Safety and Efficacy of Ipilimumab plus Nivolumab and Sequential Selective Internal Radiation Therapy in Hepatic and Extrahepatic Metastatic Uveal Melanoma

Cancers, 2022-02, Vol.14 (5), p.1162

2022

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Estimated Costs of the Ipilimumab-Nivolumab Therapy and Related Adverse Events in Metastatic Melanoma

Cancers, 2022-12, Vol.15 (1), p.31

2022

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A differential process mining analysis of COVID-19 management for cancer patients

Frontiers in oncology, 2022-12, Vol.12, p.1043675-1043675

2022

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The Jarzynski identity derived from general Hamiltonian or non-Hamiltonian dynamics reproducing NVT or NPT ensembles

The Journal of chemical physics, 2006-10, Vol.125 (14), p.144109-144109

Cuendet, Michel A

2006

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Modeling tumor size dynamics based on real‐world electronic health records and image data in advanced melanoma patients receiving immunotherapy

CPT: pharmacometrics and systems pharmacology, 2023-08, Vol.12 (8), p.1170-1181

2023

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Turning tumors from cold to inflamed to improve immunotherapy response

Cancer treatment reviews, 2021-12, Vol.101, p.102227-102227, Article 102227

2021

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Statistical mechanical derivation of Jarzynski's identity for thermostated non-Hamiltonian dynamics

Physical review letters, 2006-03, Vol.96 (12), p.120602-120602, Article 120602

Cuendet, Michel A

2006

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The Allostery Landscape: Quantifying Thermodynamic Couplings in Biomolecular Systems

Journal of chemical theory and computation, 2016-12, Vol.12 (12), p.5758-5767

2016

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How T cell receptors interact with peptide-MHCs: A multiple steered molecular dynamics study

Proteins, structure, function, and bioinformatics, 2011-11, Vol.79 (11), p.3007-3024

2011

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Endpoint-restricted adiabatic free energy dynamics approach for the exploration of biomolecular conformational equilibria

The Journal of chemical physics, 2018-08, Vol.149 (7), p.072316-072316

2018

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Thermodynamic Coupling Function Analysis of Allosteric Mechanisms in the Human Dopamine Transporter

Biophysical journal, 2018-01, Vol.114 (1), p.10-14

2018

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SwissParam: A fast force field generation tool for small organic molecules

Implementation of the CHARMM Force Field in GROMACS: Analysis of Protein Stability Effects from Correction Maps, Virtual Interaction Sites, and Water Models

Truly privacy-preserving federated analytics for precision medicine with multiparty homomorphic encryption

Allosteric Mechanisms of Molecular Machines at the Membrane: Transport by Sodium-Coupled Symporters

Free Energy Reconstruction from Metadynamics or Adiabatic Free Energy Dynamics Simulations

Protein-Protein Interaction Investigated by Steered Molecular Dynamics: The TCR-pMHC Complex

Transport domain unlocking sets the uptake rate of an aspartate transporter

Heating and flooding: a unified approach for rapid generation of free energy surfaces

Author Correction: Truly privacy-preserving federated analytics for precision medicine with multiparty homomorphic encryption

How Accurately Do Current Force Fields Predict Experimental Peptide Conformations? An Adiabatic Free Energy Dynamics Study

On the calculation of velocity-dependent properties in molecular dynamics simulations using the leapfrog integration algorithm

Interactive process mining of cancer treatment sequences with melanoma real-world data

Unusual mode of dimerization of retinitis pigmentosa-associated F220C rhodopsin

Safety and Efficacy of Ipilimumab plus Nivolumab and Sequential Selective Internal Radiation Therapy in Hepatic and Extrahepatic Metastatic Uveal Melanoma

Estimated Costs of the Ipilimumab-Nivolumab Therapy and Related Adverse Events in Metastatic Melanoma

A differential process mining analysis of COVID-19 management for cancer patients

The Jarzynski identity derived from general Hamiltonian or non-Hamiltonian dynamics reproducing NVT or NPT ensembles

Modeling tumor size dynamics based on real‐world electronic health records and image data in advanced melanoma patients receiving immunotherapy

Turning tumors from cold to inflamed to improve immunotherapy response

Statistical mechanical derivation of Jarzynski's identity for thermostated non-Hamiltonian dynamics

The Allostery Landscape: Quantifying Thermodynamic Couplings in Biomolecular Systems

How T cell receptors interact with peptide-MHCs: A multiple steered molecular dynamics study

Acquired resistance to anti-MAPK targeted therapy confers an immune-evasive tumor microenvironment and cross-resistance to immunotherapy in melanoma

Endpoint-restricted adiabatic free energy dynamics approach for the exploration of biomolecular conformational equilibria

Thermodynamic Coupling Function Analysis of Allosteric Mechanisms in the Human Dopamine Transporter

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