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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: 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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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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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 -
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المؤلفون: Mathew D. Halls, Fabio Ranalli, Eiji Fujii, Thomas J. L. Mustard, Nobuyuki N. Matsuzawa, Masaru Sasago, David J. Giesen, Alexander Goldberg, Hideyuki Arai, H. Shaun Kwak
المصدر: The Journal of Physical Chemistry A. 124:1981-1992
مصطلحات موضوعية: Fullerene, 010304 chemical physics, business.industry, Chemistry, Printed electronics, 0103 physical sciences, Nanotechnology, Cloud computing, Physical and Theoretical Chemistry, 010402 general chemistry, business, 01 natural sciences, 0104 chemical sciences