Search results for "molecular modeling"

Hits ?▲	Authors	Title	Venue	Year	Link	Author keywords
3	Russell Brown, Ilya Sharapov	High-Scalability Parallelization of a Molecular Modeling Application: Performance and Productivity Comparison Between OpenMP and MPI Implementations.	International Journal of Parallel Programming	2007	DBLP DOI BibTeX RDF	Parallel programming, MPI, OpenMP, Molecular modeling
3	Jeffrey W. Chastine, Jeremy C. Brooks, Ying Zhu, G. Scott Owen, Robert W. Harrison, Irene T. Weber	AMMP-Vis: a collaborative virtual environment for molecular modeling.	VRST	2005	DBLP DOI BibTeX RDF	collaboration, augmented reality, virtual environments, interaction techniques, molecular modeling, shaders
2	Salih Jabour, Mazen Y. Hamed	Binding of the Zn2+ ion to ferric uptake regulation protein from E. coli and the competition with Fe2+ binding: a molecular modeling study of the effect on DNA binding and conformational changes of Fur.	Journal of Computer-Aided Molecular Design	2009	DBLP DOI BibTeX RDF	Iron box, DNA binding, Zinc site, Repressor proteins, Fur
2	Christopher I. Rodrigues, David J. Hardy, John E. Stone, Klaus Schulten, Wen-mei W. Hwu	GPU acceleration of cutoff pair potentials for molecular modeling applications.	Conf. Computing Frontiers	2008	DBLP DOI BibTeX RDF	gpgpu, molecular dynamics, graphics processors, cuda
2	Sungjun Park, Jun Lee, Jee-In Kim	A Collaborative Virtual Reality Environment for Molecular Modeling.	ICAT	2006	DBLP DOI BibTeX RDF
2	Sungjun Park, Bosoon Kim, Jee-In Kim	A Web Service-Based Molecular Modeling System Using a Distributed Processing System.	Human.Society@Internet	2005	DBLP DOI BibTeX RDF
2	Ting-Cheng Lu, Silvia N. Crivelli, Nelson L. Max	ProteinShop and POSE: Bringing Robotics and Intelligent Systems into the Field of Molecular Modeling.	CSB Workshops	2005	DBLP DOI BibTeX RDF
2	Sungjun Park, Bosoon Kim, Jee-In Kim	A Interactive Molecular Modeling System Based on Web Service.	FSKD	2005	DBLP DOI BibTeX RDF
2	Sungjun Park, Jun Lee, Jee-In Kim	A Molecular Modeling System Based on Dynamic Gestures.	ICCSA	2005	DBLP DOI BibTeX RDF
2	Andriy Kovalenko	Molecular Modeling of Biomolecules and Solutions in Nanoporous Materials.	ICMENS	2004	DBLP DOI BibTeX RDF
2	Michael Good	Participatory design of a portable torque-feedback device.	CHI	1992	DBLP DOI BibTeX RDF	virtual reality, participatory design, presence, force feedback, chemistry, molecular modeling
1	Weiwei Xue, Huanxiang Liu, Xiaojun Yao	Molecular mechanism of HIV-1 integrase-vDNA interactions and strand transfer inhibitor action: A molecular modeling perspective.	Journal of Computational Chemistry	2012	DBLP DOI BibTeX RDF
1	Yvonne C. Martin, Steven W. Muchmore	Frozen out: molecular modeling in the age of cryocrystallography.	Journal of Computer-Aided Molecular Design	2012	DBLP DOI BibTeX RDF
1	Anthony Nicholls	The character of molecular modeling.	Journal of Computer-Aided Molecular Design	2012	DBLP DOI BibTeX RDF
1	Juan Du, Huijun Sun, Lili Xi, Jiazhong Li, Ying Yang, Huanxiang Liu, Xiaojun Yao	Molecular modeling study of checkpoint kinase 1 inhibitors by multiple docking strategies and prime/MM-GBSA calculation.	Journal of Computational Chemistry	2011	DBLP DOI BibTeX RDF
1	Despina Laimou, Eliada Lazoura, Anastassios N. Troganis, Minos-Timotheos Matsoukas, Spyros N. Deraos, Maria Katsara, John Matsoukas, Vasso Apostolopoulos, Theodore V. Tselios	Conformational studies of immunodominant myelin basic protein 1-11 analogues using NMR and molecular modeling.	Journal of Computer-Aided Molecular Design	2011	DBLP DOI BibTeX RDF
1	Nancy Iwamoto	Modeling mechanical properties of an epoxy using particle dynamics, as parameterized through molecular modeling.	Microelectronics Reliability	2011	DBLP DOI BibTeX RDF
1	Jiapu Zhang, David Y. Gao, John Yearwood	A novel canonical dual computational approach for prion AGAAAAGA amyloid fibril molecular modeling	CoRR	2011	DBLP BibTeX RDF
1	David A. Hecht, Charles C. N. Wang, Rouh-Mei Hu, Jeffrey J. P. Tsai	Molecular Modeling Studies of AmpR Mediated AmpC ß-Lactamase Repression.	BIBE	2011	DBLP DOI BibTeX RDF
1	Mayank Daga, Wu-chun Feng, Thomas Scogland	Towards accelerating molecular modeling via multi-scale approximation on a GPU.	ICCABS	2011	DBLP DOI BibTeX RDF
1	Sidhartha Chaudhury, Sergey Lyskov, Jeffrey J. Gray	PyRosetta: a script-based interface for implementing molecular modeling algorithms using Rosetta.	Bioinformatics	2010	DBLP DOI BibTeX RDF
1	Lili Xi, Juan Du, Shuyan Li, Jiazhong Li, Huanxiang Liu, Xiaojun Yao	A combined molecular modeling study on gelatinases and their potent inhibitors.	Journal of Computational Chemistry	2010	DBLP DOI BibTeX RDF
1	Constanza Cárdenas, Axel Bidon-Chanal, Pablo Conejeros, Gloria Arenas, Sergio Marshall, F. Javier Luque	Molecular modeling of class I and II alleles of the major histocompatibility complex in Salmo salar.	Journal of Computer-Aided Molecular Design	2010	DBLP DOI BibTeX RDF
1	Kugamoorthy Gajananan, Arturo Nakasone, Andreas Hildebrandt, Helmut Prendinger	A Novel Three-Dimensional Collaborative Online Platform for Bio-molecular Modeling.	Smart Graphics	2010	DBLP DOI BibTeX RDF
1	Martin Koehler, Matthias Ruckenbauer, Ivan Janciak, Siegfried Benkner, Hans Lischka, Wilfried N. Gansterer	Supporting Molecular Modeling Workflows within a Grid Services Cloud.	ICCSA	2010	DBLP DOI BibTeX RDF
1	Patrick Maier 0002, Marcus Tönnis, Gudrun Klinker, Alexander Raith, Markus Drees, Fritz Kuhn	What do you do when two hands are not enough? interactive selection of bonds between pairs of tangible molecules.	3DUI	2010	DBLP DOI BibTeX RDF	interactive selection, tangible molecules, chemical structure, 3D spatial extent, AR-based system, optical marker, molecular bonds, gesture-based technique, shake-based technique, proximity-based technique, augmented reality, tangible interaction, dynamic behavior, molecular modeling, chemical reaction, 3D structure
1	Lukas Marsalek, Anna Katharina Dehof, Iliyan Georgiev, Hans-Peter Lenhof, Philipp Slusallek, Andreas Hildebrandt	Real-Time Ray Tracing of Complex Molecular Scenes.	IV	2010	DBLP DOI BibTeX RDF	visualization, rendering, ray tracing, ray casting, molecular modeling, structural bioinformatics
1	Patrícia Cardoso Perez, Rafael A. Caceres, Fernanda Canduri, Walter Filgueira de Azevedo Jr.	Molecular modeling and dynamics simulation of human cyclin-dependent kinase 3 complexed with inhibitors.	Comp. in Bio. and Med.	2009	DBLP DOI BibTeX RDF
1	Maurizio Fermeglia, Sabrina Pricl	Multiscale molecular modeling in nanostructured material design and process system engineering.	Computers & Chemical Engineering	2009	DBLP DOI BibTeX RDF
1	Olga Yuzlenko, Katarzyna Kiec-Kononowicz	Molecular modeling of A1 and A2A adenosine receptors: Comparison of rhodopsin- and beta2-adrenergic-based homology models through the docking studies.	Journal of Computational Chemistry	2009	DBLP DOI BibTeX RDF
1	Nancy Iwamoto, Ahila Krishnamoorthy, Richard Spear	Performance properties in thick film silicate dielectric layers using molecular modeling.	Microelectronics Reliability	2009	DBLP DOI BibTeX RDF
1	Taimei Zhou, Xueying Zheng, Deqing Yi, Qingying Zhang	Molecular Modeling and Structure Analysis of S100 Calcium Binding Protein A14: Molecular Modeling and Structure Analysis of S100A14.	BMEI	2009	DBLP DOI BibTeX RDF
1	A. Sait Sekercioglu, Alpaslan Duysak	Molecular Modeling for Deformable Object Simulation.	CGVR	2009	DBLP BibTeX RDF
1	Loïc Nolin, Aassif Benassarou, Manuel Dauchez, Yannick Rémion	Beta sheet simulation in molecular modeling.	IADIS AC	2009	DBLP BibTeX RDF
1	Pamita Awasthi, Shilpa Dogra, Lalit K. Awasthi, Ritu Barthwal	Interactions of Mitoxantrone and its Analogues with DNA Tetramer Sequences- A Molecular Modeling Study.	BIOCOMP	2009	DBLP BibTeX RDF
1	Nathan Brown	Chemoinformatics - an introduction for computer scientists.	ACM Comput. Surv.	2009	DBLP DOI BibTeX RDF	molecular modeling, drug discovery, docking, QSAR, Chemoinformatics, chemometrics
1	Bharat Sukhwani, Martin C. Herbordt	FPGA-based acceleration of CHARMM-potential minimization.	SC-HPRCTA	2009	DBLP DOI BibTeX RDF
1	Juan Cortés, Sophie Barbe, Monique Erard, Thierry Siméon	Encoding molecular motions in voxel maps.	ICRA	2009	DBLP DOI BibTeX RDF
1	Chiara Parravicini, Graziella Ranghino, Maria P. Abbracchio, Piercarlo Fantucci	GPR17: Molecular modeling and dynamics studies of the 3-D structure and purinergic ligand binding features in comparison with P2Y receptors.	BMC Bioinformatics	2008	DBLP DOI BibTeX RDF
1	Alicia M. Davis, Gary Joanis, Lorena Tribe	Molecular modeling of polymer-clay nanocomposite precursors: Lysine in montmorillonite interlayers.	Journal of Computational Chemistry	2008	DBLP DOI BibTeX RDF
1	Eitan Yaffe, Dan Halperin	Approximating the pathway axis and the persistence diagram of a collection of balls in 3-space.	Symposium on Computational Geometry	2008	DBLP DOI BibTeX RDF	alpha complex, persistence diagram, medial axis, molecular modeling
1	Marco Vassura, Luciano Margara, Pietro di Lena, Filippo Medri, Piero Fariselli, Rita Casadio	Reconstruction of 3D Structures From Protein Contact Maps.	IEEE/ACM Trans. Comput. Biology Bioinform.	2008	DBLP DOI BibTeX RDF	Protein structure prediction, Combinatorial algorithms, Molecular Modeling, Contact map
1	Jun Lee, Sungjun Park, Youngjin Choi, HyungSeok Kim, Jee-In Kim	Real-time rendering of solvent-accessible surfaces for molecular models.	VRST	2008	DBLP DOI BibTeX RDF	solvent-accessible surface, animation, metaballs
1	Thomas A. Furness	e-Merging Realities.	DS-RT	2008	DBLP DOI BibTeX RDF
1	Sean Williams, Kyle Lund, Chenxiang Lin, Peter Wonka, Stuart Lindsay, Hao Yan	Tiamat: A Three-Dimensional Editing Tool for Complex DNA Structures.	DNA	2008	DBLP DOI BibTeX RDF	Structural DNA nanotechnology, DNA tile, 3D DNA structure display, DNA sequence design
1	Andrew Leaver-Fay, Jack Snoeyink, Brian Kuhlman	On-the-Fly Rotamer Pair Energy Evaluation in Protein Design.	ISBRA	2008	DBLP DOI BibTeX RDF
1	Ron Wallace	Neural membrane microdomains as computational systems: Toward molecular modeling in the study of neural disease.	Biosystems	2007	DBLP DOI BibTeX RDF
1	John E. Stone, James C. Phillips, Peter L. Freddolino, David J. Hardy, Leonardo G. Trabuco, Klaus Schulten	Accelerating molecular modeling applications with graphics processors.	Journal of Computational Chemistry	2007	DBLP DOI BibTeX RDF
1	Zhili Zuo, Chen Gang, Hanjun Zou, Puah Chum Mok, Weiliang Zhu, Kaixian Chen, Hualiang Jiang	Why does beta-secretase zymogen possess catalytic activity? Molecular modeling and molecular dynamics simulation studies.	Computational Biology and Chemistry	2007	DBLP DOI BibTeX RDF
1	Benjamin Parent, Annemarie Kökösy, Dragos Horvath	Optimized Evolutionary Strategies in Conformational Sampling.	Soft Comput.	2007	DBLP DOI BibTeX RDF	Hybrid optimization techniques, Algorithm performance tuning, conformational sampling, Genetic algorithms, Molecular modeling, Island model, Multimodal optimization
1	Tsutomu Ikegamial, Jun Maki, Toshiya Takami, Yoshio Tanaka, Mitsuo Yokokawa, Satoshi Sekiguchi, Mutsumi Aoyagi	GridFMO - Quantum chemistry of proteins on the grid.	GRID	2007	DBLP DOI BibTeX RDF
1	Wenjun Ma, Wing Zhu, Robert W. Harrison, G. Scott Owen	AMMP-EXTN: Managing User Privacy and Cooperation Demand in a Collaborative Molecule Modeling Virtual System.	VR	2007	DBLP DOI BibTeX RDF
1	Andreas Moll, Andreas Hildebrandt, Hans-Peter Lenhof, Oliver Kohlbacher	BALLView: a tool for research and education in molecular modeling.	Bioinformatics	2006	DBLP DOI BibTeX RDF
1	Russell Brown, Ilya Sharapov	Performance and Programmability Comparison Between OpenMP and MPI Implementations of a Molecular Modeling Application.	IWOMP	2006	DBLP DOI BibTeX RDF
1	Vadim A. Slavin, Robert Pelcovits, George Loriot, Andrew Callan-Jones, David H. Laidlaw	Techniques for the Visualization of Topological Defect Behavior in Nematic Liquid Crystals.	IEEE Trans. Vis. Comput. Graph.	2006	DBLP DOI BibTeX RDF	Tensor Visualization, Liquid Crystals, Case Studies, Molecular Modeling
1	Nico Kruithof, Gert Vegter	Envelope surfaces.	Symposium on Computational Geometry	2006	DBLP DOI BibTeX RDF	Legendre-Fenchel transform, envelopes of spheres, piecewise quadratic surfaces, smooth surfaces
1	David Abramson, Céline Amoreira, Kim Baldridge, Laura Berstis, Chris Kondric, Tom Peachey	A Flexible Grid Framework for Automatic Protein-Ligand Docking.	e-Science	2006	DBLP DOI BibTeX RDF
1	André Severo Pereira Gomes, André Merzky, Lucas Visscher	A Framework for Execution of Computational Chemistry Codes in Grid Environments.	International Conference on Computational Science	2006	DBLP DOI BibTeX RDF	Grid(lab) Application Toolkit, Command–line Interface, Grid Computing, Heterogeneous Environment, Computational Chemistry
1	Irun R. Cohen	Immune System Computation and the Immunological Homunculus.	MoDELS	2006	DBLP DOI BibTeX RDF
1	Youdong Lin, C. Ryan Gwaltney, Mark A. Stadtherr	Reliable Modeling and Optimization for Chemical Engineering Applications: Interval Analysis Approach.	Reliable Computing	2006	DBLP DOI BibTeX RDF
1	Gaurav Arya, Athanassios Z. Panagiotopoulos	Molecular modeling of shear-induced alignment of cylindrical micelles.	Computer Physics Communications	2005	DBLP DOI BibTeX RDF
1	Nir Kalisman, Ami Levi, Tetyana Maximova, Dan Reshef, Sharon Zafriri-Lynn, Yan Gleyzer, Chen Keasar	MESHI: a new library of Java classes for molecular modeling.	Bioinformatics	2005	DBLP DOI BibTeX RDF
1	Wibke Sudholt, Kim Baldridge, David Abramson, Colin Enticott, Slavisa Garic, Chris Kondric, Duy Nguyen	Application of grid computing to parameter sweeps and optimizations in molecular modeling.	Future Generation Comp. Syst.	2005	DBLP DOI BibTeX RDF
1	William L. Jorgensen, Julian Tirado-Rives	Molecular modeling of organic and biomolecular systems using BOSS and MCPRO.	Journal of Computational Chemistry	2005	DBLP DOI BibTeX RDF
1	Jaroslaw J. Panek, Aneta Jezierska, Krzysztof Mierzwicki, Zdzislaw Latajka, Aleksander Koll	Molecular Modeling Study of Leflunomide and Its Active Metabolite Analogues.	Journal of Chemical Information and Modeling	2005	DBLP DOI BibTeX RDF
1	Igor Novak	Molecular Modeling of Anti-Bredt Compounds.	Journal of Chemical Information and Modeling	2005	DBLP DOI BibTeX RDF
1	Stefano Alcaro, Francesco Ortuso, Robert S. Coleman	Molecular Modeling of DNA Cross-linking Analogues Based on the Azinomycin Scaffold.	Journal of Chemical Information and Modeling	2005	DBLP DOI BibTeX RDF
1	Alban Lepailleur, Ronan Bureau, Magalie Paillet-Loilier, Frédéric Fabis, Nicolas Saettel, Stéphane Lemaître, François Dauphin, Aurélien Lesnard, Jean-Charles Lancelot, Sylvain Rault	Molecular Modeling Studies Focused on 5-HT7 versus 5-HT1A Selectivity. Discovery of Novel Phenylpyrrole Derivatives with High Affinity for 5-HT7 Receptors.	Journal of Chemical Information and Modeling	2005	DBLP DOI BibTeX RDF
1	Madhu Chopra, Anil K. Mishra	Ligand-Based Molecular Modeling Study on a Chemically Diverse Series of Cholecystokinin-B/Gastrin Receptor Antagonists: Generation of Predictive Model.	Journal of Chemical Information and Modeling	2005	DBLP DOI BibTeX RDF
1	A. Ziemys, J. Kulys	Heme peroxidase clothing and inhibition with polyphenolic substances revealed by molecular modeling.	Computational Biology and Chemistry	2005	DBLP DOI BibTeX RDF
1	Ivan Merelli, Luciano Milanesi, Daniele D'Agostino, Andrea Clematis, Marco Vanneschi, Marco Danelutto	Using Parallel Isosurface Extraction in Superficial Molecular Modeling.	DFMA	2005	DBLP DOI BibTeX RDF
1	Ting-Cheng Lu, Jinhui Ding, Silvia N. Crivelli	DockingShop: a Tool for Interactive Protein Docking.	CSB Workshops	2005	DBLP DOI BibTeX RDF
1	Fuqiang Ban, Savariraj Kingsley, Ross Johnson, Hicham Fenniri, Andriy Kovalenko	Modeling the Zinc Chelating Rosette Nanotube.	ICMENS	2005	DBLP DOI BibTeX RDF
1	Kamaljit Kaur	Dynamic effects on Peptide Structure: Molecular dynamics simulations of a peptide employing ensemble of peptides.	ICMENS	2005	DBLP DOI BibTeX RDF
1	Jörg-Rüdiger Hill, Johann Plank	Retardation of setting of plaster of Paris by organic acids: Understanding the mechanism through molecular modeling.	Journal of Computational Chemistry	2004	DBLP DOI BibTeX RDF
1	Keng-Chang Tsai, Thy-Hou Lin	A Ligand-Based Molecular Modeling Study on Some Matrix Metalloproteinase-1 Inhibitors Using Several 3D QSAR Techniques.	Journal of Chemical Information and Modeling	2004	DBLP DOI BibTeX RDF
1	Mattan Erez, Jung Ho Ahn, Ankit Garg, William J. Dally, Eric Darve	Analysis and Performance Results of a Molecular Modeling Application on Merrimac.	SC	2004	DBLP DOI BibTeX RDF
1	Jun-tao Guo, Ying Xu	Molecular Modeling of Full-Length OxyR from Shewanella oneidensis MR-1 and Molecular Dynamics Studies of the Activation Domain.	CSB	2004	DBLP DOI BibTeX RDF
1	André Murad	Molecular modeling of Zabrotes subfasciatus a-amylase: an in silico strategy on development of novel bioinsecticides.	WOB	2004	DBLP BibTeX RDF
1	Frank DiMaio, Jude W. Shavlik, George N. Phillips	Pictorial Structures for Molecular Modeling: Interpreting Density Maps.	NIPS	2004	DBLP BibTeX RDF
1	Alexandre Gillet, Michel F. Sanner, Daniel Stoffler, David S. Goodsell, Arthur J. Olson	Augmented Reality with Tangible Auto-Fabricated Models for Molecular Biology Applications.	IEEE Visualization	2004	DBLP DOI BibTeX RDF	Augmented Reality, Molecular Modeling, Molecular Visualization
1	Steven Schkolne, Hiroshi Ishii, Peter Schröder	Immersive Design of DNA Molecules with a Tangible Interface.	IEEE Visualization	2004	DBLP DOI BibTeX RDF	props, spatial construction, responsive workbench, DNA design, virtual reality, augmented reality, tangible user interface, molecular modeling, molecular visualization
1	Shenghua Shi, Lisa Yan, Yang Yang, Jodi Fisher-Shaulsky, Tom Thacher	An extensible and systematic force field, ESFF, for molecular modeling of organic, inorganic, and organometallic systems.	Journal of Computational Chemistry	2003	DBLP DOI BibTeX RDF
1	Vineet Pande, Rakesh K. Sharma, Jun-Ichiro Inoue, Masami Otsuka, Maria João Ramos	A molecular modeling study of inhibitors of nuclear factor kappa-B (p50) - DNA binding.	Journal of Computer-Aided Molecular Design	2003	DBLP DOI BibTeX RDF
1	S. P. Patil, G. D. Yadav	Selective acylation of 2 methoxynaphthalene by large pore zeolites: catalyst selection through molecular modeling.	Computational Biology and Chemistry	2003	DBLP DOI BibTeX RDF
1	Gary D. Black, Karen Schuchardt, Deborah K. Gracio, Bruce J. Palmer	The Extensible Computational Chemistry Environment: A Problem Solving Environment for High Performance Theoretical Chemistry.	International Conference on Computational Science	2003	DBLP DOI BibTeX RDF
1	Martin Gavrilov, Piotr Indyk, Rajeev Motwani, Suresh Venkatasubramanian	Combinatorial and Experimental Methods for Approximate Point Pattern Matching.	Algorithmica	2003	DBLP DOI BibTeX RDF
1	Mahindra T. Makhija, Vithal M. Kulkarni	3D-QSAR and molecular modeling of HIV-1 integrase inhibitors.	Journal of Computer-Aided Molecular Design	2002	DBLP DOI BibTeX RDF
1	E. Fredj	Real Time Interactive Visualization System for Flexible Molecular Docking. (PDF / PS)	IPDPS	2002	DBLP DOI BibTeX RDF	Genetic Algorithm, Parallel Computing, Molecular Dynamics, Molecular Modeling, Molecular Docking
1	E. Fredj	Real Time Interactive Visualization System for Flexible Molecular Docking. (PDF / PS)	IPDPS	2002	DBLP DOI BibTeX RDF	Genetic Algorithm, Parallel Computing, Molecular Dynamics, Molecular Modeling, Molecular Docking
1	Yehudit Judy Dori, Miri Barak	Virtual and Physical Molecular Modeling: Fostering Model Perception and Spatial Understanding.	Educational Technology & Society	2001	DBLP BibTeX RDF
1	Artur Gieldon, Rajmund Kazmierkiewicz, Rafal Slusarz, Jerzy Ciarkowski	Molecular modeling of interactions of the non-peptide antagonist YM087 with the human vasopressin V1a, V2 receptors and with oxytocin receptors.	Journal of Computer-Aided Molecular Design	2001	DBLP DOI BibTeX RDF
1	Tatiana Y. Zakharian, Shoshanna R. Coon	Evaluation of Spartan Semi-empirical Molecular Modeling Software for Calculations of Molecules on Surfaces: CO Adsorption on Ni(111).	Computers & Chemistry	2001	DBLP DOI BibTeX RDF
1	Tasso Karkanis, A. James Stewart	Curvature-Dependent Triangulation of Implicit Surfaces.	IEEE Computer Graphics and Applications	2001	DBLP DOI BibTeX RDF	adaptive triangulation, Implicit surface
1	Konrad Hinsen	The molecular modeling toolkit: A new approach to molecular simulations.	Journal of Computational Chemistry	2000	DBLP DOI BibTeX RDF
1	Daphne Q.-D. Pham	Molecular modeling of insect ferritins.	In Silico Biology	2000	DBLP BibTeX RDF
1	Curtis Lisle, Rebecca J. Parsons	The design and applications of a recursive molecular modeling framework.	IEEE Transactions on Information Technology in Biomedicine	2000	DBLP DOI BibTeX RDF
1	Nicolas Boghossian, Oliver Kohlbacher, Hans-Peter Lenhof	Rapid Software Prototyping in Molecular Modeling Using the Biochemical Algorithms Library (BALL).	ACM Journal of Experimental Algorithmics	2000	DBLP DOI BibTeX RDF
1	Edyta Wozniak, Stanislaw Oldziej, Jerzy Ciarkowski	Molecular Modeling of the Catalytic Domain of Serine/threonine Phosphatase-1with the Zn2+ and Mn2+ Di-nuclear Ion Centers in the Active Site.	Computers & Chemistry	2000	DBLP DOI BibTeX RDF
1	Andreas Hilgeroth, Romy Fleischer, Michael Wiese, Frank W. Heinemann	Comparison of azacyclic urea A-98881 as HIV-1 protease inhibitor with cage dimeric N-benzyl 4-(4-methoxyphenyl)-1, 4- dihydropyridine as representative of a novel class of HIV-1 protease inhibitors: A molecular modeling study.	Journal of Computer-Aided Molecular Design	1999	DBLP DOI BibTeX RDF