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Rapid parameterization of small molecules using the force field toolkit

Journal of computational chemistry, 2013-12, Vol.34 (32), p.2757-2770

2013

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Structural underpinnings of oestrogen receptor mutations in endocrine therapy resistance

Nature reviews. Cancer, 2018-06, Vol.18 (6), p.377

2018

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Adaptive Multilevel Splitting Method for Molecular Dynamics Calculation of Benzamidine-Trypsin Dissociation Time

Journal of chemical theory and computation, 2016-06, Vol.12 (6), p.2983-2989

2016

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Induced and natural regulatory T cells in the development of inflammatory bowel disease

Inflammatory bowel diseases, 2013-07, Vol.19 (8), p.1772-1788

2013

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Assembly and Analysis of Cell-Scale Membrane Envelopes

Journal of chemical information and modeling, 2022-02, Vol.62 (3), p.602-617

2022

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All-Atom Molecular Dynamics of Virus Capsids as Drug Targets

The journal of physical chemistry letters, 2016-05, Vol.7 (10), p.1836-1844

2016

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A membrane-embedded pathway delivers general anesthetics to two interacting binding sites in the Gloeobacter violaceus ion channel

The Journal of biological chemistry, 2017-06, Vol.292 (23), p.9480-9492

2017

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Crystal structure of the SALL4-pomalidomide-cereblon-DDB1 complex

Nature structural & molecular biology, 2020-04, Vol.27 (4), p.319

2020

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The Role of Micronutrients in Graft-VS.-Host Disease: Immunomodulatory Effects of Vitamins A and D

Frontiers in immunology, 2018-12, Vol.9, p.2853-2853

2018

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Stapled Peptides with γ-Methylated Hydrocarbon Chains for the Estrogen Receptor/Coactivator Interaction

Angewandte Chemie (International ed.), 2016-03, Vol.55 (13), p.4252-4255

International ed. in English, 2016

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Stapled Peptides with [gamma]-Methylated Hydrocarbon Chains for the Estrogen Receptor/Coactivator Interaction

Angewandte Chemie International Edition, 2016-03, Vol.55 (13), p.4252

International ed. in English, 2016

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Flexibility Coexists with Shape-Persistence in Cyanostar Macrocycles

Journal of the American Chemical Society, 2016-04, Vol.138 (14), p.4843-4851

2016

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Minireview: Not Picking Pockets: Nuclear Receptor Alternate-Site Modulators (NRAMs)

Molecular endocrinology (Baltimore, Md.), 2010-04, Vol.24 (4), p.683-695

2010

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Atomistic Models of General Anesthetics for Use in in Silico Biological Studies

The journal of physical chemistry. B, 2014-10, Vol.118 (42), p.12075-12086

2014

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1,25-Dihydroxyvitamin D₃ acts directly on the T lymphocyte vitamin D receptor to inhibit experimental autoimmune encephalomyelitis

European journal of immunology, 2011-03, Vol.41 (3), p.822-832

2011

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Preparation of o‑Fluorophenols from Nonaromatic Precursors: Mechanistic Considerations for Adaptation to Fluorine-18 Radiolabeling

Organic letters, 2015-11, Vol.17 (22), p.5540-5543

2015

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Design of pathway preferential estrogens that provide beneficial metabolic and vascular effects without stimulating reproductive tissues

Science signaling, 2016-05, Vol.9 (429), p.ra53

2016

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Vitamin D and estrogen synergy in Vdr -expressing CD4+ T cells is essential to induce Helios+ FoxP3+ T cells and prevent autoimmune demyelinating disease

Journal of neuroimmunology, 2015-09, Vol.286, p.48-58

2015

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The cellular membrane as a mediator for small molecule interaction with membrane proteins

Biochimica et biophysica acta, 2016-10, Vol.1858 (10), p.2290-2304

2016

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Analysis of the surgical learning curve using the cumulative sum (CUSUM) method

Neurourology and urodynamics, 2013-09, Vol.32 (7), p.964-967

2013

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A "cross-stitched" peptide with improved helicity and proteolytic stability

Organic & biomolecular chemistry, 2018, Vol.16 (20), p.3702-3706

2018

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Defining the Energetic Basis for a Conformational Switch Mediating Ligand-Independent Activation of Mutant Estrogen Receptors in Breast Cancer

Molecular cancer research, 2021-09, Vol.19 (9), p.1559-1570

2021

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Adamantyl Antiestrogens with Novel Side Chains Reveal a Spectrum of Activities in Suppressing Estrogen Receptor Mediated Activities in Breast Cancer Cells

Journal of medicinal chemistry, 2017-07, Vol.60 (14), p.6321-6336

2017

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Rapid parameterization of small molecules using the force field toolkit

Structural underpinnings of oestrogen receptor mutations in endocrine therapy resistance

Adaptive Multilevel Splitting Method for Molecular Dynamics Calculation of Benzamidine-Trypsin Dissociation Time

Induced and natural regulatory T cells in the development of inflammatory bowel disease

Assembly and Analysis of Cell-Scale Membrane Envelopes

All-Atom Molecular Dynamics of Virus Capsids as Drug Targets

Estrogen receptor alpha somatic mutations Y537S and D538G confer breast cancer endocrine resistance by stabilizing the activating function-2 binding conformation

A membrane-embedded pathway delivers general anesthetics to two interacting binding sites in the Gloeobacter violaceus ion channel

Crystal structure of the SALL4-pomalidomide-cereblon-DDB1 complex

The Role of Micronutrients in Graft-VS.-Host Disease: Immunomodulatory Effects of Vitamins A and D

Stapled Peptides with γ-Methylated Hydrocarbon Chains for the Estrogen Receptor/Coactivator Interaction

Stapled Peptides with [gamma]-Methylated Hydrocarbon Chains for the Estrogen Receptor/Coactivator Interaction

Flexibility Coexists with Shape-Persistence in Cyanostar Macrocycles

The SERM/SERD bazedoxifene disrupts ESR1 helix 12 to overcome acquired hormone resistance in breast cancer cells

Minireview: Not Picking Pockets: Nuclear Receptor Alternate-Site Modulators (NRAMs)

Atomistic Models of General Anesthetics for Use in in Silico Biological Studies

1,25-Dihydroxyvitamin D₃ acts directly on the T lymphocyte vitamin D receptor to inhibit experimental autoimmune encephalomyelitis

Preparation of o‑Fluorophenols from Nonaromatic Precursors: Mechanistic Considerations for Adaptation to Fluorine-18 Radiolabeling

Design of pathway preferential estrogens that provide beneficial metabolic and vascular effects without stimulating reproductive tissues

Vitamin D and estrogen synergy in Vdr -expressing CD4+ T cells is essential to induce Helios+ FoxP3+ T cells and prevent autoimmune demyelinating disease

The cellular membrane as a mediator for small molecule interaction with membrane proteins

Analysis of the surgical learning curve using the cumulative sum (CUSUM) method

A "cross-stitched" peptide with improved helicity and proteolytic stability

Defining the Energetic Basis for a Conformational Switch Mediating Ligand-Independent Activation of Mutant Estrogen Receptors in Breast Cancer

Adamantyl Antiestrogens with Novel Side Chains Reveal a Spectrum of Activities in Suppressing Estrogen Receptor Mediated Activities in Breast Cancer Cells

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