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OpenPathSampling: A Python Framework for Path Sampling Simulations. 1. Basics

Journal of chemical theory and computation, 2019-02, Vol.15 (2), p.813-836

2019

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OpenPathSampling: A Python Framework for Path Sampling Simulations. 2. Building and Customizing Path Ensembles and Sample Schemes

Journal of chemical theory and computation, 2019-02, Vol.15 (2), p.837-856

2019

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A replica exchange transition interface sampling method with multiple interface sets for investigating networks of rare events

The Journal of chemical physics, 2014-07, Vol.141 (4), p.044101-044101

2014

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The opposing effects of isotropic and anisotropic attraction on association kinetics of proteins and colloids

The Journal of chemical physics, 2017-10, Vol.147 (15), p.155101-155101

2017

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Promoting transparency and reproducibility in enhanced molecular simulations

Nature methods, 2019-08, Vol.16 (8), p.670-673

The PLUMED consortium

2019

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A Cartesian quasi-classical model to nonequilibrium quantum transport: the Anderson impurity model

The Journal of chemical physics, 2013-03, Vol.138 (10), p.104110-104110

2013

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Transition Path Sampling as Markov Chain Monte Carlo of Trajectories: Recent Algorithms, Software, Applications, and Future Outlook

Advanced theory and simulations, 2021-04, Vol.4 (4), p.n/a

2021

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Path Sampling Simulations Reveal How the Q61L Mutation Alters the Dynamics of KRas

The journal of physical chemistry. B, 2022-12, Vol.126 (48), p.10034-10044

2022

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Atomistic insight into the kinetic pathways for Watson-Crick to Hoogsteen transitions in DNA

Nucleic acids research, 2019-12, Vol.47 (21), p.11069-11076

2019

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Kartograf: A Geometrically Accurate Atom Mapper for Hybrid-Topology Relative Free Energy Calculations

Journal of chemical theory and computation, 2024-03, Vol.20 (5), p.1862-1877

2024

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Abnormal folate metabolism and mutation in the methylenetetrahydrofolate reductase gene may be maternal risk factors for Down syndrome

The American journal of clinical nutrition, 1999-10, Vol.70 (4), p.495-501

1999

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Application of a semiclassical model for the second-quantized many-electron Hamiltonian to nonequilibrium quantum transport: The resonant level model

The Journal of chemical physics, 2011-04, Vol.134 (16), p.164103-164103-8

2011

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Remarkable Features in the Interactions of Quadrupolar Molecules

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2006-05, Vol.110 (20), p.6399-6407

2006

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Reaction of the antitumor antibiotic CC-1065 with DNA. Location of the site of thermally induced strand breakage and analysis of DNA sequence specificity

Biochemistry (Easton), 1985-10, Vol.24 (22), p.6228-6237

1985

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Reaction of the Antitumor Antibiotic CC-1065 with DNA: Structure of a DNA Adduct with DNA Sequence Specificity

Science (American Association for the Advancement of Science), 1984-11, Vol.226 (4676), p.843-844

1984

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A semiclassical model for the non-equilibrium quantum transport of a many-electron Hamiltonian coupled to phonons

Molecular physics, 2012-05, Vol.110 (9-10), p.743-750

2012

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Synthesis and Evaluation of a Boronated Nitroimidazole for Boron Neutron Capture Therapy

Journal of medicinal chemistry, 1996-03, Vol.39 (7), p.1540-1544

1996

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A comprehensive quantitative analysis of methylated and ethylated DNA using high pressure liquid chromatography

Carcinogenesis (New York), 1980-07, Vol.1 (7), p.595-606

1980

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An NMR study of the covalent and noncovalent interactions of CC-1065 and DNA

Biochemistry (Easton), 1990-03, Vol.29 (11), p.2852-2860

1990

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Mechanism of interaction of CC-1065 (NSC 298223) with DNA

Cancer research (Chicago, Ill.), 1982-07, Vol.42 (7), p.2821-2828

1982

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Synthesis of N-(purin-8-yl)arylamines

Chemical research in toxicology, 1993-07, Vol.6 (4), p.480-485

1993

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The reactivity and carcinogenicity of aflatoxin B1-2,3-dichloride, a model for the putative 2,3-oxide metabolite of aflatoxin B1

Cancer research (Chicago, Ill.), 1975-12, Vol.35 (12), p.3811

1975

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Our stolen future: Are we threatening our fertility, intelligence and survival? A scientific detective story

Preventive veterinary medicine, 1997-09, Vol.32 (1-2), p.144-147

Swenson, David H.

1997

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Clustering of molecular hydrogen around benzene

Chemical physics, 2006-08, Vol.326 (2), p.329-334

2006

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Analysis of DNA Adduct,S-[2-(N7-Guanyl)ethyl]glutathione, by Liquid Chromatography/Mass Spectrometry and Liquid Chromatography/Tandem Mass Spectrometry

Analytical biochemistry, 1998-12, Vol.265 (1), p.139-150

1998

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OpenPathSampling: A Python Framework for Path Sampling Simulations. 1. Basics

OpenPathSampling: A Python Framework for Path Sampling Simulations. 2. Building and Customizing Path Ensembles and Sample Schemes

A replica exchange transition interface sampling method with multiple interface sets for investigating networks of rare events

The opposing effects of isotropic and anisotropic attraction on association kinetics of proteins and colloids

Promoting transparency and reproducibility in enhanced molecular simulations

A Cartesian quasi-classical model to nonequilibrium quantum transport: the Anderson impurity model

Transition Path Sampling as Markov Chain Monte Carlo of Trajectories: Recent Algorithms, Software, Applications, and Future Outlook

Path Sampling Simulations Reveal How the Q61L Mutation Alters the Dynamics of KRas

Atomistic insight into the kinetic pathways for Watson-Crick to Hoogsteen transitions in DNA

Kartograf: A Geometrically Accurate Atom Mapper for Hybrid-Topology Relative Free Energy Calculations

Abnormal folate metabolism and mutation in the methylenetetrahydrofolate reductase gene may be maternal risk factors for Down syndrome

Application of a semiclassical model for the second-quantized many-electron Hamiltonian to nonequilibrium quantum transport: The resonant level model

Remarkable Features in the Interactions of Quadrupolar Molecules

Reaction of the antitumor antibiotic CC-1065 with DNA. Location of the site of thermally induced strand breakage and analysis of DNA sequence specificity

Reaction of the Antitumor Antibiotic CC-1065 with DNA: Structure of a DNA Adduct with DNA Sequence Specificity

A semiclassical model for the non-equilibrium quantum transport of a many-electron Hamiltonian coupled to phonons

Synthesis and Evaluation of a Boronated Nitroimidazole for Boron Neutron Capture Therapy

A comprehensive quantitative analysis of methylated and ethylated DNA using high pressure liquid chromatography

An NMR study of the covalent and noncovalent interactions of CC-1065 and DNA

Mechanism of interaction of CC-1065 (NSC 298223) with DNA

Synthesis of N-(purin-8-yl)arylamines

The reactivity and carcinogenicity of aflatoxin B1-2,3-dichloride, a model for the putative 2,3-oxide metabolite of aflatoxin B1

Our stolen future: Are we threatening our fertility, intelligence and survival? A scientific detective story

Clustering of molecular hydrogen around benzene

Analysis of DNA Adduct,S-[2-(N7-Guanyl)ethyl]glutathione, by Liquid Chromatography/Mass Spectrometry and Liquid Chromatography/Tandem Mass Spectrometry

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