Works matching IS 01928651 AND DT 2020 AND VI 41 AND IP 24
Results: 8
Atomistic simulation reveals structural mechanisms underlying D614G spike glycoprotein‐enhanced fitness in SARS‐COV‐2.
- Published in:
- Journal of Computational Chemistry, 2020, v. 41, n. 24, p. 2158, doi. 10.1002/jcc.26383
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- Publication type:
- Article
Electronic structure benchmark calculations of CO<sub>2</sub> fixing elementary chemical steps in RuBisCO using the projector‐based embedding approach.
- Published in:
- Journal of Computational Chemistry, 2020, v. 41, n. 24, p. 2151, doi. 10.1002/jcc.26380
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- Article
Aqueous Diels–Alder reactions for thermochemical storage and heat transfer fluids identified using density functional theory.
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- Journal of Computational Chemistry, 2020, v. 41, n. 24, p. 2137, doi. 10.1002/jcc.26378
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- Article
Predicting experimental electrophilicities from quantum and topological descriptors: A machine learning approach.
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- Journal of Computational Chemistry, 2020, v. 41, n. 24, p. 2124, doi. 10.1002/jcc.26376
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- Article
The enhanced extended phenomenological kinetics method to deal with timescale disparity problem among different reaction pathways.
- Published in:
- Journal of Computational Chemistry, 2020, v. 41, n. 24, p. 2115, doi. 10.1002/jcc.26374
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- Article
High‐performance transformation of protein structure representation from internal to Cartesian coordinates.
- Published in:
- Journal of Computational Chemistry, 2020, v. 41, n. 24, p. 2104, doi. 10.1002/jcc.26372
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- Article
Issue Information.
- Published in:
- Journal of Computational Chemistry, 2020, v. 41, n. 24, p. 2099, doi. 10.1002/jcc.25968
- Publication type:
- Article
Cover Image, Volume 41, Issue 24.
- Published in:
- Journal of Computational Chemistry, 2020, v. 41, n. 24, p. C1, doi. 10.1002/jcc.25967
- Publication type:
- Article