Search Results

Filter
  • 1-10 of  278 results for ""MOLECULAR docking""
Item request has been placed! ×
Item request cannot be made. ×
loading  Processing Request
Academic Journal

An open-source drug discovery platform enables ultra-large virtual screens.

  • Authors : Gorgulla C; Department of Biological Chemistry and Molecular Pharmacology, Harvard Medical School, Harvard University, Boston, MA, USA. .; Department of Physics, Faculty of Arts and Sciences, Harvard University, Cambridge, MA, USA. .

Subjects: Software*/Software*/Software*/standards ; User-Computer Interface*; Drug Discovery/Drug Discovery/Drug Discovery/*methods

  • Source: Nature [Nature] 2020 Apr; Vol. 580 (7805), pp. 663-668. Date of Electronic Publication: 2020 Mar 09.Publisher: Nature Publishing Group Country of Publication: England NLM ID: 0410462 Publication Model: Print-Electronic Cited

Record details

×
Academic Journal

Pre-T cell receptor self-MHC sampling restricts thymocyte dedifferentiation.

  • Authors : Duke-Cohan JS; Laboratory of Immunobiology, Dana-Farber Cancer Institute, Boston, MA, USA. .; Department of Medical Oncology, Dana-Farber Cancer Institute, Boston, MA, USA. .

Subjects: Thymocytes*/Thymocytes*/Thymocytes*/cytology ; Thymocytes*/Thymocytes*/Thymocytes*/immunology ; Receptors, Antigen, T-Cell*/Receptors, Antigen, T-Cell*/Receptors, Antigen, T-Cell*/immunology

  • Source: Nature [Nature] 2023 Jan; Vol. 613 (7944), pp. 565-574. Date of Electronic Publication: 2022 Nov 21.Publisher: Nature Publishing Group Country of Publication: England NLM ID: 0410462 Publication Model: Print-Electronic Cited

Record details

×
Academic Journal

Synthon-based ligand discovery in virtual libraries of over 11 billion compounds.

  • Authors : Sadybekov AA; Department of Quantitative and Computational Biology, University of Southern California, Los Angeles, CA, USA.; Department of Chemistry, Bridge Institute, USC Michelson Center for Convergent Biosciences, University of Southern California, Los Angeles, CA, USA.

Subjects: Algorithms* ; Combinatorial Chemistry Techniques* ; Drug Discovery*

  • Source: Nature [Nature] 2022 Jan; Vol. 601 (7893), pp. 452-459. Date of Electronic Publication: 2021 Dec 15.Publisher: Nature Publishing Group Country of Publication: England NLM ID: 0410462 Publication Model: Print-Electronic Cited

Record details

×
Academic Journal

Structure-based classification predicts drug response in EGFR-mutant NSCLC.

  • Authors : Robichaux JP; Department of Thoracic/Head and Neck Medical Oncology, MD Anderson Cancer Center, Houston, TX, USA.; Le X

Subjects: Antineoplastic Agents/Antineoplastic Agents/Antineoplastic Agents/*pharmacology ; Carcinoma, Non-Small-Cell Lung/Carcinoma, Non-Small-Cell Lung/Carcinoma, Non-Small-Cell Lung/*drug therapy ; Lung Neoplasms/Lung Neoplasms/Lung Neoplasms/*drug therapy

  • Source: Nature [Nature] 2021 Sep; Vol. 597 (7878), pp. 732-737. Date of Electronic Publication: 2021 Sep 15.Publisher: Nature Publishing Group Country of Publication: England NLM ID: 0410462 Publication Model: Print-Electronic Cited

Record details

×
Academic Journal

Virtual discovery of melatonin receptor ligands to modulate circadian rhythms.

  • Authors : Stein RM; Department of Pharmaceutical Chemistry, University of California San Francisco, San Francisco, CA, USA.; Kang HJ

Subjects: Ligands*; Circadian Rhythm/Circadian Rhythm/Circadian Rhythm/*physiology ; Receptors, Melatonin/Receptors, Melatonin/Receptors, Melatonin/*agonists

  • Source: Nature [Nature] 2020 Mar; Vol. 579 (7800), pp. 609-614. Date of Electronic Publication: 2020 Feb 10.Publisher: Nature Publishing Group Country of Publication: England NLM ID: 0410462 Publication Model: Print-Electronic Cited

Record details

×
Academic Journal

IspH inhibitors kill Gram-negative bacteria and mobilize immune clearance.

  • Authors : Singh KS; Vaccine and Immunotherapy Center, The Wistar Institute, Philadelphia, PA, USA.; Sharma R

Subjects: Drug Design*; Enzyme Inhibitors/Enzyme Inhibitors/Enzyme Inhibitors/*pharmacology ; Escherichia coli Proteins/Escherichia coli Proteins/Escherichia coli Proteins/*antagonists & inhibitors

  • Source: Nature [Nature] 2021 Jan; Vol. 589 (7843), pp. 597-602. Date of Electronic Publication: 2020 Dec 23.Publisher: Nature Publishing Group Country of Publication: England NLM ID: 0410462 Publication Model: Print-Electronic Cited

Record details

×
Academic Journal

Structural basis of ligand recognition at the human MT 1 melatonin receptor.

  • Authors : Stauch B; Bridge Institute,USC Michelson Center for Convergent Biosciences, University of Southern California, Los Angeles, CA, USA.; Department of Chemistry, University of Southern California, Los Angeles, CA, USA.

Subjects: Electrons* ; Lasers* ; Models, Molecular*

  • Source: Nature [Nature] 2019 May; Vol. 569 (7755), pp. 284-288. Date of Electronic Publication: 2019 Apr 24.Publisher: Nature Publishing Group Country of Publication: England NLM ID: 0410462 Publication Model: Print-Electronic Cited

Record details

×
Academic Journal

XFEL structures of the human MT 2 melatonin receptor reveal the basis of subtype selectivity.

  • Authors : Johansson LC; Bridge Institute, USC Michelson Center for Convergent Biosciences, University of Southern California, Los Angeles, CA, USA.; Department of Chemistry, University of Southern California, Los Angeles, CA, USA.

Subjects: Electrons* ; Lasers* ; Models, Molecular*

  • Source: Nature [Nature] 2019 May; Vol. 569 (7755), pp. 289-292. Date of Electronic Publication: 2019 Apr 24.Publisher: Nature Publishing Group Country of Publication: England NLM ID: 0410462 Publication Model: Print-Electronic Cited

Record details

×
Academic Journal

Ultra-large library docking for discovering new chemotypes.

  • Authors : Lyu J; Department of Pharmaceutical Chemistry, University of California, San Francisco, San Francisco, CA, USA.; State Key Laboratory of Bioreactor Engineering, Shanghai Key Laboratory of New Drug Design, School of Pharmacy, East China University of Science & Technology, Shanghai, China.

Subjects: Dopamine Agonists/Dopamine Agonists/Dopamine Agonists/*chemistry ; Dopamine Agonists/Dopamine Agonists/Dopamine Agonists/*isolation & purification ; Molecular Docking Simulation/Molecular Docking Simulation/Molecular Docking Simulation/*methods

  • Source: Nature [Nature] 2019 Feb; Vol. 566 (7743), pp. 224-229. Date of Electronic Publication: 2019 Feb 06.Publisher: Nature Publishing Group Country of Publication: England NLM ID: 0410462 Publication Model: Print-Electronic Cited

Record details

×
Academic Journal

Cryo-EM structure of the human α1β3γ2 GABA A receptor in a lipid bilayer.

  • Authors : Laverty D; MRC Laboratory of Molecular Biology, Cambridge Biomedical Campus, Cambridge, UK. .; Desai R

Subjects: Cryoelectron Microscopy*; Lipid Bilayers/Lipid Bilayers/Lipid Bilayers/*chemistry ; Receptors, GABA-A/Receptors, GABA-A/Receptors, GABA-A/*chemistry

  • Source: Nature [Nature] 2019 Jan; Vol. 565 (7740), pp. 516-520. Date of Electronic Publication: 2019 Jan 02.Publisher: Nature Publishing Group Country of Publication: England NLM ID: 0410462 Publication Model: Print-Electronic Cited

Record details

×
  • 1-10 of  278 results for ""MOLECULAR docking""