Molecular Simulation

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Targeted Molecular Dynamics Simulation of Conformational Change-Application to the T ↔ R Transition in Insulin
Molecular Simulation - Tập 10 Số 2-6 - Trang 291-308 - 1993
J. Schlitter, Michael Engels, Peter Krüger, Edgar Jacoby, Axel Wollmer
Proton Transfer in Liquid Water II; A Semiempirical Method to Describe Chemical Reactions
Molecular Simulation - Tập 16 Số 4-6 - Trang 321-344 - 1996
Tamiki Komatsuzaki, Iwao Ohmine
Raman, FT-IR spectroscopic analysis and first-order hyperpolarisability of 3-benzoyl-5-chlorouracil by first principles
Molecular Simulation - Tập 37 Số 2 - Trang 153-163 - 2011
Leena Sinha, Onkar Prasad, Vijay Narayan, S. R. Shukla
Robust QSAR Models from Novel Descriptors and Bayesian Regularised Neural Networks
Molecular Simulation - Tập 24 Số 4-6 - Trang 243-258 - 2000
David A. Winkler, Frank R. Burden
Molecular structure, vibrational spectra and HOMO, LUMO analysis of 4-piperidone by density functional theory andab initioHartree–Fock calculations
Molecular Simulation - Tập 35 Số 9 - Trang 705-713 - 2009
N. Sundaraganesan, Gandhi Elango, C. Meganathan, B. Karthikeyan, Mustafa Kurt
Neural network predictions of oxygen interactions on a dynamic Pd surface
Molecular Simulation - Tập 43 Số 5-6 - Trang 346-354 - 2017
Jacob R. Boes, John R. Kitchin
Numerical Calculation of the Bridge Function for Soft-Sphere Supercooled Fluids via Molecular Dynamics Simulations
Molecular Simulation - Tập 12 Số 3-6 - Trang 421-430 - 1994
Shaw Kambayashi, Yasuaki Hiwatari
Molecular Dynamics Simulations of The Swelling of Terephthalate Containing Anionic Clays
Molecular Simulation - Tập 21 Số 4 - Trang 183-189 - 1999
Samuel J. Williams, Peter V. Coveney, William Jones
Molecular dynamics simulations of conformation and chain length dependent terahertz spectra of alanine polypeptides
Molecular Simulation - Tập 42 Số 5 - Trang 398-404 - 2016
Mingkun Zhang, Dongshan Wei, Mingjie Tang, Changcheng Shi, Hong‐Liang Cui, Chunlei Du
The structure-based 3D-QSAR study of MCH1 receptor antagonists
Molecular Simulation - Tập 34 Số 7 - Trang 699-705 - 2008
New Gil Lee, Seung-Eun Yoo, Nam Sook Kang
Tổng số: 20   
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