Journal of Chemical Information and Modeling

Journal Abbreviation: J CHEM INF MODEL
ISSN: 1549-9596
Publisher: American Chemical Society



Publications

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Journal issue: 10, Volume: 58, Pages range: 2108-2122
Kinematic Flexibility Analysis: Hydrogen Bonding Patterns Impart a Spatial Hierarchy of Protein Motion (2018)
Budday D, Leyendecker S, van den Bedem H

Journal issue: 5, Volume: 57, Pages range: 1210-1217
An Efficient Metadynamics-Based Protocol To Model the Binding Affinity and the Transition State Ensemble of G-Protein-Coupled Receptor Ligands (2017)
Saleh N, Ibrahim P, Saladino G, et al.

Journal issue: 2, Volume: 57, Pages range: 298-310
Conformation and Dynamics of Human Urotensin II and Urotensin Related Peptide in Aqueous Solution (2017)
Haensele E, Mele N, Miljak M, et al.

Journal issue: 8, Volume: 57, Pages range: 1907-1922
The hpCADD NDDO Hamiltonian: Parametrization (2017)
Thomas HB, Hennemann M, Kibies P, et al.

Journal issue: 9, Volume: 56, Pages range: 1798-1807
Can Simulations and Modeling Decipher NMR Data for Conformational Equilibria? Arginine-Vasopressin (2016)
Hänsele E, Saleh N, Read CM, et al.

Journal issue: 12, Volume: 53, Pages range: 3262-3272
Economical and Accurate Protocol for Calculating Hydrogen-Bond-Acceptor Strengths (2013)
El Kerdawy A, Tautermann CS, Clark T, et al.

Journal issue: 6, Volume: 53, Pages range: 1486-1502
Quantum Mechanics-Based Properties for 3D-QSAR (2013)
El Kerdawy A, Güssregen S, Matter H, et al.

Journal issue: 9, Volume: 52, Pages range: 2441-2453
3D-QSAR Based on Quantum-Chemical Molecular Fields: Toward an Improved Description of Halogen Interactions (2012)
Güssregen S, Matter H, Hessler G, et al.

Journal issue: 4, Volume: 52, Pages range: 1061-1071
Predicting the Sites and Energies of Noncovalent Intermolecular Interactions Using Local Properties (2012)
El Kerdawy A, Wick C, Hennemann M, et al.

Journal issue: 9, Volume: 51, Pages range: 2408-2416
Conformation-Dependent QSPR Models: logP(OW) (2011)
Mühlbacher M, El Kerdawy A, Kramer C, et al.


Last updated on 2015-29-05 at 16:46