المؤلفون: Kenneth W. Borrelli, Matthew J Grisewood, Phani Ghanakota, Richard A. Friesner, Edward B. Miller, Troast Dawn M, Daniel J. Sindhikara, Robert B. Murphy, Robert Abel, Salma B Rafi, Nicholas A. Boyles, Fabio Ranalli, Tyler Day, Steven V. Jerome, Sayan Mondal, Steven L. Dixon

المصدر: Journal of Chemical Theory and Computation. 17:2630-2639

مصطلحات موضوعية: 010304 chemical physics, Drug discovery, Computer science, Proteins, Protein structure prediction, Ligands, Ligand (biochemistry), 01 natural sciences, Computer Science Applications, Molecular Docking Simulation, Free energy perturbation, Molecular dynamics, Docking (molecular), 0103 physical sciences, Physical and Theoretical Chemistry, Pharmacophore, Biological system, Protein Binding, Protein ligand

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c9c2ac386fda0ec7c01f20f30e7e0228
https://doi.org/10.1021/acs.jctc.1c00136

المؤلفون: Jessica R Ingram, Salma B Rafi, A Alegra Eroy-Reveles, Manisha Ray, Laura Lambeth, Ivy Hsieh, Debbie Ruelas, K C Lim, Judy Sakanari, Charles S Craik, Matthew P Jacobson, James H McKerrow

المصدر: PLoS Neglected Tropical Diseases, Vol 6, Iss 4, p e1589 (2012)

مصطلحات موضوعية: Arctic medicine. Tropical medicine, RC955-962, Public aspects of medicine, RA1-1270

وصف الملف: electronic resource

Relation: http://europepmc.org/articles/PMC3317910?pdf=render; https://doaj.org/toc/1935-2727; https://doaj.org/toc/1935-2735

URL الوصول: https://doaj.org/article/adc9682b910c4082aca05a5745dc5ff2

المؤلفون: Adam R. Renslo, Brian R. Hearn, Matthew P. Jacobson, Salma B. Rafi, Punitha Vedantham

المصدر: Journal of Medicinal Chemistry. 55:3163-3169

مصطلحات موضوعية: Models, Molecular, Cell Membrane Permeability, Indoles, Membrane permeability, Protein Conformation, Pyridines, Stereochemistry, Biological Transport, Active, Stereoisomerism, Article, Force field (chemistry), Cell Line, Diffusion, Structure-Activity Relationship, Dogs, Protein structure, Benzyl Compounds, Nitriles, Drug Discovery, Animals, Molecule, ATP Binding Cassette Transporter, Subfamily B, Member 1, Amino Acids, Hydrogen bond, Chemistry, Hydrogen Bonding, Small molecule, Membrane, Solubility, Chemical physics, Thermodynamics, Molecular Medicine, Carbamates, Peptides

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::00940ee29b5468d73f710e476a8fc0fc
https://doi.org/10.1021/jm201634q

المؤلفون: K. C. Lim, Debbie S. Ruelas, Laura Lambeth, Jessica R. Ingram, Ivy Hsieh, Salma B. Rafi, Judy A. Sakanari, Charles S. Craik, James H. McKerrow, Alegra Eroy-Reveles, Manisha Ray, Matthew P. Jacobson

المصدر: PLoS Neglected Tropical Diseases, Vol 6, Iss 4, p e1589 (2012)
PLoS Neglected Tropical Diseases

مصطلحات موضوعية: Proteases, lcsh:Arctic medicine. Tropical medicine, lcsh:RC955-962, medicine.medical_treatment, Molecular Sequence Data, Snails, 030231 tropical medicine, Molecular Dynamics Simulation, Biology, Biochemistry, Microbiology, Mice, 03 medical and health sciences, 0302 clinical medicine, Cricetinae, Gene duplication, parasitic diseases, medicine, Animals, Gene family, Amino Acid Sequence, Cercaria, Pancreatic elastase, 030304 developmental biology, Schistosoma, Mice, Inbred BALB C, 0303 health sciences, Binding Sites, Protease, Mesocricetus, Pancreatic Elastase, Sequence Homology, Amino Acid, Gene Expression Profiling, lcsh:Public aspects of medicine, Elastase, Public Health, Environmental and Occupational Health, lcsh:RA1-1270, Schistosoma mansoni, biology.organism_classification, Molecular biology, 3. Good health, Infectious Diseases, Proteolysis, Protein Binding, Research Article

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3d6bb259dfbbcadaeb72c2618fb047b1
http://europepmc.org/articles/PMC3317910?pdf=render

المؤلفون: Christopher L. McClendon, Matthew P. Jacobson, Salma B. Rafi

المصدر: Biophysical Journal. 98(3)

مصطلحات موضوعية: Ubiquitin, biology, Proteasome, Biochemistry, Ubiquitin-activating enzyme, biology.protein, Statistical coupling analysis, Biophysics, Target protein, Ubiquitin-conjugating enzyme, Protein degradation, Ubiquitin ligase

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a9d06d79543512076c1fb6ca5b9233e2