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1دورية أكاديمية
المؤلفون: Mayako Michino, Alexandre Beautrait, Nicholas A. Boyles, Aparna Nadupalli, Alexey Dementiev, Shan Sun, John Ginn, Leigh Baxt, Robert Suto, Ruslana Bryk, Steven V. Jerome, David J. Huggins, Jeremie Vendome
المصدر: ACS Bio & Med Chem Au, Vol 3, Iss 6, Pp 507-515 (2023)
مصطلحات موضوعية: Biology (General), QH301-705.5, Biochemistry, QD415-436
وصف الملف: electronic resource
Relation: https://doaj.org/toc/2694-2437
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المؤلفون: Pieter H. Bos, Evelyne M. Houang, Fabio Ranalli, Abba E. Leffler, Nicholas A. Boyles, Volker A. Eyrich, Yuval Luria, Dana Katz, Haifeng Tang, Robert Abel, Sathesh Bhat
المصدر: Journal of Chemical Information and Modeling. 62:1905-1915
مصطلحات موضوعية: General Chemical Engineering, General Chemistry, Library and Information Sciences, Computer Science Applications
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المؤلفون: Pieter H, Bos, Evelyne M, Houang, Fabio, Ranalli, Abba E, Leffler, Nicholas A, Boyles, Volker A, Eyrich, Yuval, Luria, Dana, Katz, Haifeng, Tang, Robert, Abel, Sathesh, Bhat
المصدر: Journal of chemical information and modeling. 62(8)
مصطلحات موضوعية: Central Nervous System, Drug Design, Drug Discovery, Amino Acids, Algorithms
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4
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
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5
المؤلفون: Pieter H Bos, Evelyne M. Houang, Fabio Ranalli, Abba E. Leffler, Nicholas A. Boyles, Volker A. Eyrich, Yuval Luria, Dana Katz, Haifeng Tang, Robert Abel, Sathesh Bhat
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::88c2ba821dcd166570c44c7439ae5d47
https://doi.org/10.26434/chemrxiv-2021-m6k5f -
6
المؤلفون: Christopher D. Schmitz, Ramy Farid, Ivan Tubert-Brohman, Robert B. Murphy, Nicholas A. Boyles, Ramakrishna Annabhimoju, Matthew P. Repasky, Jeremy R. Greenwood, Steven V. Jerome, Richard A. Friesner, Robert Abel
المصدر: Journal of medicinal chemistry. 59(9)
مصطلحات موضوعية: Virtual screening, 010304 chemical physics, Ligand, Chemistry, Protein Data Bank (RCSB PDB), Water, Hydrogen Bonding, Receptors, Cell Surface, 010402 general chemistry, Bioinformatics, Ligands, 01 natural sciences, Molecular Docking Simulation, 0104 chemical sciences, Molecular dynamics, Delocalized electron, Searching the conformational space for docking, Docking (molecular), 0103 physical sciences, Drug Discovery, Molecular Medicine, Biological system