Biological and Medicinal Chemistry

Search within Biological and Medicinal Chemistry

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Repurposing Therapeutics for COVID-19: Supercomputer-Based Docking to the SARS-CoV-2 Viral Spike Protein and Viral Spike Protein-Human ACE2 Interface

Micholas Smith, Jeremy C. Smith

53,416

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48 Citations

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Biological and Medicinal Chemistry

Transmembrane transport of bicarbonate by anion receptors

Luis Martínez-Crespo, Hennie Valkenier

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Biological and Medicinal Chemistry

How Nature makes O2: an electronic level mechanism for water oxidation in photosynthesis.

Patrick O'Malley, Felix Rummel

155

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Biological and Medicinal Chemistry

Powerful avidity with a limited valency for virus-attachment blockers on DC SIGN: Combining chelation and statistical rebinding with structural plasticity of the receptor

Vanessa Porkolab, Martin Lepšík, Stefania Ordanini, Alexander St John, Aline Le Roy, Michel Thépaut, Emanuele Paci, Christine Ebel, Anna Bernardi, Franck FIESCHI

158

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Biological and Medicinal Chemistry

Evolving Drug Design Methodology: from QSAR to AIDD

Jun Xu

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Biological and Medicinal Chemistry

“Magic Chloro”: Profound Effects of the Chlorine Atom in Drug Discovery

Debora Chiodi, Yoshihiro Ishihara

269

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Biological and Medicinal Chemistry

Pseudo-irreversible butyrylcholinesterase inhibitors: SAR, kinetic, computational, and crystallographic study of the N-dialkyl O-arylcarbamate warhead

Anže Meden, Damijan Knez, Xavier Brazzolotto, Fabrice Modeste, Andrej Perdih, Anja Pišlar, Maša Zorman, Milica Denic, Stane Pajk, Florian Nachon, Stanislav Gobec

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Biological and Medicinal Chemistry

Src kinase app: valid inhibitor generation and prediction with explanation using predictive model and selfies

Mohamed Abd Elaleem

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Biological and Medicinal Chemistry

Chromium chelated kappa carrageenan and its antibacterial activity

Saad Salman

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Biological and Medicinal Chemistry

Photoredox C-H Functionalization Leads the Site-selective Phenylalanine Bioconjugation

Chien-Wei Chiang, Yue Weng, Chun-Jen Su, Haoyang Jiang

119

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Theoretical and Computational Chemistry

Data-driven Generation of Perturbation Networks for Relative Binding Free Energy Calculations

Jenke Scheen, Mark Mackey, Julien Michel

303

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Biological and Medicinal Chemistry

The First CACHE Challenge – Identifying Binders of the WD-Repeat Domain of Leucine-Rich Repeat Kinase 2

Mihai Burai-Patrascu, Anita K. Nivedha, Ophélie Rostaing, Prakash Chukka, Nicolas Moitessier, Josh Pottel

180

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Biological and Medicinal Chemistry

Mechanistic Evidence for a Radical-Radical Recombination Pathway of Flavin-based Photocatalytic Tyrosine Labeling

Taylor Hope, Tamara Reyes-Robles, Keun Ah Ryu, Nicole Removski, Jacinthe Maisonneuve, Rob Oslund, Olugbeminiyi Fadeyi, Mathieu Frenette

116

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Biological and Medicinal Chemistry

Most Read

COVID-19: Attacks the 1-beta Chain of Hemoglobin to Disrupt Respiratory Function and Escape Immunity

Most Cited

Repurposing Therapeutics for COVID-19: Supercomputer-Based Docking to the SARS-CoV-2 Viral Spike Protein and Viral Spike Protein-Human ACE2 Interface

Latest Content

Transmembrane transport of bicarbonate by anion receptors

How Nature makes O2: an electronic level mechanism for water oxidation in photosynthesis.

Powerful avidity with a limited valency for virus-attachment blockers on DC SIGN: Combining chelation and statistical rebinding with structural plasticity of the receptor

Evolving Drug Design Methodology: from QSAR to AIDD

“Magic Chloro”: Profound Effects of the Chlorine Atom in Drug Discovery

Pseudo-irreversible butyrylcholinesterase inhibitors: SAR, kinetic, computational, and crystallographic study of the N-dialkyl O-arylcarbamate warhead

Src kinase app: valid inhibitor generation and prediction with explanation using predictive model and selfies

Chromium chelated kappa carrageenan and its antibacterial activity

Photoredox C-H Functionalization Leads the Site-selective Phenylalanine Bioconjugation

Data-driven Generation of Perturbation Networks for Relative Binding Free Energy Calculations

The First CACHE Challenge – Identifying Binders of the WD-Repeat Domain of Leucine-Rich Repeat Kinase 2

Mechanistic Evidence for a Radical-Radical Recombination Pathway of Flavin-based Photocatalytic Tyrosine Labeling