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ChemRN: Molecular Modelling (Topic)

103 Total downloads

Viewing: 1 - 13 of 13 papers

1.

Minimum Population Search, an Application to Molecular Docking

Gecontec: Revista Internacional de Gestión del Conocimiento y la Tecnología, Vol. 2 (3) 2014
Number of pages: 16 Posted: 24 Sep 2014
Accepted Paper Series
Universidad de la Habana, Universidad de la Habana, Institute of Cybernetics, Mathematical and Physical (ICIMAF) and York University
Downloads 27
2.

Computational Research in T-Cell Receptor/Peptide/Major Histocompatibility Complex Interaction and Immunoinformatics

Number of pages: 8 Posted: 17 Jul 2018
Working Paper Series
UIC Barcelona; University of Oxford
Downloads 20
3.

Variable Transformations for Mathematical Model of Drug Release from a Swelling Hydrogel

Australian Journal of Basic and Applied Sciences, 10(7) Special 2016, Pages: 25-29
Number of pages: 5 Posted: 11 Jul 2017
Accepted Paper Series
Universiti Malaysia Terengganu (UMT) - School of Informatics & Applied Mathematics and Universiti Malaysia Terengganu (UMT) - Marine Management Sciences Research Group
Downloads 18
4.

Electron Delocalization of Metal Electrons in Fe Complexes by Positronium Reactions

Science Direct Working Paper No S1574-0331(04)70363-X
Number of pages: 7 Posted: 01 Jun 2017 Last Revised: 16 Dec 2017
Working Paper Series
Polytechnic University of Milan - Dipartimento Ingegneria Nucleare and Polytechnic University of Milan - Dipartimento Ingegneria Nucleare
Downloads 11
5.

Complete Spreading of Liquid Droplets on Heterogeneous Substrates: Simulations and Experiments

Science Direct Working Paper No S1574-0331(04)70337-9
Number of pages: 21 Posted: 31 May 2017 Last Revised: 16 Dec 2017
Working Paper Series
Materia Nova, Université de Mons-Hainaut - Centre de Recherche en Mod´elisation Moleculaire, Université de Mons-Hainaut - Centre de Recherche en Mod´elisation Moleculaire, Université de Mons-Hainaut - Laboratoire de Chimie Organique and Université de Mons-Hainaut - Centre de Recherche en Mod´elisation Moleculaire
Downloads 6
6.

Chemical Structure Optimization of Lupeol As ER-α and HER2 Inhibitor

Asian J Pharm Clin Res, Vol 11, Issue 6, 2018, 298-303
Number of pages: 6 Posted: 04 Aug 2018
Accepted Paper Series
Universitas Muhammadiyah Palangkaraya and Sebelas Maret University
Downloads 5
7.

Ab Initio Computation of Molecular Singlet-Triplet Energy Differences Using Auxiliary Field Monte Carlo

Science Direct Working Paper No S1574-0331(04)70424-5
Number of pages: 6 Posted: 31 May 2017 Last Revised: 16 Dec 2017
Working Paper Series
Hebrew University of Jerusalem - Chaim Weizmann Institute for Chemistry
Downloads 4
8.

An Improved Qspr Modeling of Hydrocarbon Dipole Moments

Science Direct Working Paper No S1574-0331(04)70189-7
Number of pages: 12 Posted: 07 Jun 2017 Last Revised: 06 Jan 2018
Working Paper Series
Scientifical Research Institute, Vostok Holding Innovation Company, Universidad Nacional de La Plata - Departamento de Quimica and Universidad Nacional de La Plata - Departamento de Quimica
Downloads 3
9.

Density Functional Analysis of the Isomers of 3,6-Diphenyl-1, 2, 4, 5-Tetroxane Molecule

Science Direct Working Paper No S1574-0331(04)70080-6
Number of pages: 7 Posted: 24 May 2017 Last Revised: 02 Dec 2017
Working Paper Series
Universidad Nacional del Nordeste - Area de Fisicoquimica FACENA, Universidad Nacional de La Plata - Departamento de Quimica and Universidad Nacional del Nordeste - Area de Fisicoquimica FACENA
Downloads 3
10.

Application of Quantitative Structure-Retention Relationships (Qsrr) to a Set of Organic Bromo and Nitrile Derivatives

Science Direct Working Paper No S1574-0331(04)70395-1
Number of pages: 13 Posted: 31 May 2017 Last Revised: 16 Dec 2017
Working Paper Series
Universidad Nacional de La Plata - Departamento de Quimica, Universidad Nacional de La Plata - Departamento de Quimica and Universidad Nacional de La Plata - Departamento de Quimica
Downloads 2
11.

Calculating Degree Based Multiplicative Topological Indices of Alcohol

Number of pages: 8 Posted: 04 Nov 2018
Working Paper Series
University of Central Punjab, Government College University- Faisalabad - Department of Mathematics, University of Sargodha - Department of Mathematics, Government College University- Faisalabad - Department of Applied Chemistry and Government College University- Faisalabad - Department of Mathematics
Downloads 2
12.

Augmented Lagrangian Method for Order-N Electronic Structure

Science Direct Working Paper No S1574-0331(04)70428-2
Number of pages: 4 Posted: 31 May 2017 Last Revised: 16 Dec 2017
Working Paper Series
Hebrew University of Jerusalem - Department of Physical Chemistry and Hebrew University of Jerusalem - Chaim Weizmann Institute for Chemistry
Downloads 1
13.

Calculation of Total Molecular Electronic Energies from Correlation Weighting of Local Graph Invariants

Science Direct Working Paper No S1574-0331(04)70462-2
Number of pages: 12 Posted: 26 May 2017 Last Revised: 23 Dec 2017
Working Paper Series
Universidad Nacional de La Plata - Departamento de Quimica, Universidad Nacional de La Plata - Departamento de Quimica and Vostok Holding Innovation Company
Downloads 1