Oversampling Free Energy Perturbation Simulation in Determination of the Ligand‐Binding Free Energy.
- Published in:
- Journal of Computational Chemistry, 2020, v. 41, n. 7, p. 611, doi. 10.1002/jcc.26130
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- Publication type:
- Article
Works matching IS 01928651 AND DT 2020 AND VI 41 AND IP 7
Results: 12
1
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Coordination bonding in dicopper and dichromium tetrakis(μ‐acetato)‐diaqua complexes: Nature, strength, length, and topology.
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- Journal of Computational Chemistry, 2020, v. 41, n. 7, p. 698, doi. 10.1002/jcc.26121
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- Article
3
Functional and Basis Set Dependence for Time‐Dependent Density Functional Theory Trajectory Surface Hopping Molecular Dynamics: Cis‐Azobenzene Photoisomerization.
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- Journal of Computational Chemistry, 2020, v. 41, n. 7, p. 635, doi. 10.1002/jcc.26116
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- Article
4
Quantum Chemical Exploration of Intermolecular Reactions of Acetylene.
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- Journal of Computational Chemistry, 2020, v. 41, n. 7, p. 687, doi. 10.1002/jcc.26120
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- Article
5
Computations of Colorings 7D‐Hypercube's Hyperplanes for All Irreducible Representations.
- Published in:
- Journal of Computational Chemistry, 2020, v. 41, n. 7, p. 653, doi. 10.1002/jcc.26118
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- Publication type:
- Article
6
Atomistic Simulation of Structural and Mechanical Properties of the AMgF<sub>3</sub> (A = K, Rb, and Cs) Compounds Under Hydrostatic Pressure.
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- Journal of Computational Chemistry, 2020, v. 41, n. 7, p. 646, doi. 10.1002/jcc.26117
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- Article
7
Some Mathematical Reasoning on the Artificial Force Induced Reaction Method.
- Published in:
- Journal of Computational Chemistry, 2020, v. 41, n. 7, p. 629, doi. 10.1002/jcc.26115
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- Publication type:
- Article
8
Cover Image, Volume 41, Issue 7.
- Published in:
- Journal of Computational Chemistry, 2020, v. 41, n. 7, p. C1, doi. 10.1002/jcc.25899
- Publication type:
- Article
9
Record Atomistic Simulation of Crystalline Silicon: Bridging Microscale Structures and Macroscale Properties.
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- Journal of Computational Chemistry, 2020, v. 41, n. 7, p. 731, doi. 10.1002/jcc.26113
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- Publication type:
- Article
10
A FFLUX Water Model: Flexible, Polarizable and with a Multipolar Description of Electrostatics.
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- Journal of Computational Chemistry, 2020, v. 41, n. 7, p. 619, doi. 10.1002/jcc.26111
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- Article
11
Alchemical Grid Dock (AlGDock): Binding Free Energy Calculations between Flexible Ligands and Rigid Receptors.
- Published in:
- Journal of Computational Chemistry, 2020, v. 41, n. 7, p. 715, doi. 10.1002/jcc.26036
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- Publication type:
- Article
12
Issue Information.
- Published in:
- Journal of Computational Chemistry, 2020, v. 41, n. 7, p. 605, doi. 10.1002/jcc.25900
- Publication type:
- Article