journal of chemical theory and computation | Journament

Journal Ranking

Unranked

Not Yet Ranked

Quality metrics need to be calculated to establish ranking.

Sign In to Calculate Scores Authentication required

journal of chemical theory and computation

Indexings
scopus ncbi ulakbim sci
Short Name j chem theory comput
Abbreviated Name j chem theory comput
ISSN 1549-9626
Aim and Scope
URL
Author Instructions

Publications Per Year

Recent Articles (22 total)

2019
Improving Predicted Nuclear Magnetic Resonance Chemical Shifts Using the Quasi-Harmonic Approximation.
McKinley, Jessica L;Beran, Gregory J O;
394 views DOI Abstract
2020
Explicit Characterization of the Free-Energy Landscape of a Protein in the Space of All Its C Carbons.
Sormani, Giulia;Rodriguez, Alex;Laio, Alessandro;
Vol. 16 , No. 1 , pp. 80-87
375 views DOI Abstract
2019
Towards fast and reliable potential energy surfaces for metallic Pt clusters by hierarchical delta neural networks.
Sun, Geng;Sautet, Philippe;
359 views DOI Abstract
2020
Flexible Fitting of Biomolecular Structures to Atomic Force Microscopy Images via Biased Molecular Simulations.
Niina, Toru;Fuchigami, Sotaro;Takada, Shoji;
296 views DOI Abstract
2012
Encapsulation Influence on EPR Parameters of Spin-Labels: 2,2,6,6-Tetramethyl-4-methoxypiperidine-1-oxyl in Cucurbit[8]uril.
Rinkevicius, Zilvinas;FrecuÅŸ, Bogdan;Murugan, N Arul;Vahtras, Olav;Kongsted, Jacob;Ã…gren, Hans;
Vol. 8 , No. 1 , pp. 257-63
291 views DOI Abstract
2020
Field Programmable Gate Arrays for Enhancing the Speed and Energy Efficiency of Quantum Dynamics Simulations.
Rodrı Guez-Borbón, José M;Kalantar, Amin;Yamijala, Sharma S R K C;Oviedo, M Belén;Najjar, Walid;Wong, Bryan M;
287 views DOI Abstract
2019
SAXS-restrained ensemble simulations of intrinsically disordered proteins with commitment to the principle of maximum entropy.
Hermann, Markus R;Hub, Jochen S;
277 views DOI Abstract
2019
Photoabsorption Spectra of Aqueous Oxyluciferin Anions Elucidated by Explicit Quantum Solvent.
Noguchi, Yoshifumi;Hiyama, Miyabi;Motoyuki, Shiga;Akiyama, Hidefumi;Sugino, Osamu;
271 views DOI Abstract
2020
Integrating All-Atom and Coarse-Grained Simulations-Toward Understanding of IDPs at Surfaces.
Hyltegren, Kristin;Polimeni, Marco;Skepö, Marie;Lund, Mikael;
250 views DOI Abstract
2020
Hamiltonian-reservoir Replica Exchange and Machine Learning Potentials for Computational Organic Chemistry.
Fabregat, Raimon;Fabrizio, Alberto;Meyer, Benjamin;Hollas, Daniel;Corminboeuf, Clémence;
247 views DOI Abstract
View All 22 Articles
0
Overall
Not Rated
0
0
0
0
0
0
0
0
0
0
0
Journament