ChemAxon - Software Solutions and Services for Chemistry & Biology

Total posts by University of California: 7

publication · 1 month ago

Estimating metabolic equilibrium constants: 2 Progress and future challenges

by Bin Du, Bernhard O. Palsson, Daniel C. Zielinski (Technical University of Denmark, University of California)

publication · 7 months ago

ClusterCAD: a computational platform for type I modular polyketide synthase design

by Pierre Baldi, Clara H. Eng, Tyler W.H. Backman, Constance B. Bailey, Christophe Magnan, Hector Garcia Martin, Leonard Katz, Jay D. Keasling (Technical University of Denmark, University of California, Joint BioEnergy Institute, Lawrence Berkeley National Laboratory, Agile BioFoundry)

publication · 9 months ago

nAPOLI: a graph-based strategy to detect and visualize conserved protein-ligand interactions in large-scale

by Rafaela S. Ferreira, Alexandre V. Fassio, Lucianna H. Santos, Sabrina A. Silveira, Raquel C. de Melo-Minardi (Federal University of Minas Gerais, University of California, Federal University of Vicosa)

publication · 10 months ago

Quantum chemistry reveals thermodynamic principles of redox biochemistry

by Alán Aspuru-Guzik, Elad Noor, Arren Bar-Even, Avi Flamholz, Adrian Jinich, Haniu Ren, Sung-Jin Kim, Benjamin Sanchez-Lengeling, Charles A. R. Cotton (Weill Cornell Medical College, Harvard University, Massachusetts General Hospital, ETH Zurich, University of Toronto, University of California, Worcester Polytechnic Institute, Vector Institute, Canadian Institute for Advanced Research (CIFAR))

publication · 1 year ago

Structural and Thermodynamic Basis of (+)-α-Pinene Binding to Human Cytochrome P450 2B6

by P. Ross Wilderman, Manish B. Shah, Hyun-Hee Jang, C. David Stout, James R. Halpert (The Scripps Research Institute, University of California)

publication · 1 year ago

Improvement of Cell Permeability of Human Neuronal Nitric Oxide Synthase Inhibitors Using Potent and Selective 2‑AminopyridineBased Scaffolds with a Fluorobenzene Linker

by Ha T. Do, Heng-Yen Wang, Huiying Li, Georges Chreifi, Thomas L. Poulos, Richard B. Silverman (University of California, Northwestern University)

publication · 1 year ago

Virtual Screening for UDP-Galactopyranose Mutase Ligands Identifies a New Class of Antimycobacterial Agents

by Brian K. Shoichet, Virginia A. Kincaid, Nir London, Kittikhun Wangkanont, Darryl A. Wesener, Sarah A. Marcus, Annie Heroux, Lyudmila Nedyalkova, Adel M. Talaat, Katrina T. Forest, Laura L. Kiessling (University of Toronto, University of Wisconsin, University of California, Brookhaven National Laboratories)