Search results for "Conformation"

Hits ?▲	Authors	Title	Venue	Year	Link	Author keywords
18	Aysam Gürler, Sebastian Moll, Marcus Weber, Holger Meyer 0002, Frank Cordes	Selection and flexible optimization of binding modes from conformation ensembles.	Biosyst.	2008	DBLP DOI BibTeX RDF
18	Christopher J. R. Illingworth, Kevin E. B. Parkes, Christopher R. Snell, Christopher A. Reynolds	Quantitative measurement of protease ligand conformation.	J. Comput. Aided Mol. Des.	2008	DBLP DOI BibTeX RDF
18	Nicolas Sauton, David Lagorce, Bruno O. Villoutreix, Maria A. Miteva	MS-DOCK: Accurate multiple conformation generator and rigid docking protocol for multi-step virtual ligand screening.	BMC Bioinform.	2008	DBLP DOI BibTeX RDF
18	Pratik Biswas, Kim-Chuan Toh, Yinyu Ye 0001	A Distributed SDP Approach for Large-Scale Noisy Anchor-Free Graph Realization with Applications to Molecular Conformation.	SIAM J. Sci. Comput.	2008	DBLP DOI BibTeX RDF
18	Ana Damjanovic, Benjamin T. Miller, Torre J. Wenaus, Petar Maksimovic, Bertrand García-Moreno E., Bernard R. Brooks	Open Science Grid Study of the Coupling between Conformation and Water Content in the Interior of a Protein.	J. Chem. Inf. Model.	2008	DBLP DOI BibTeX RDF
18	Alexei A. Podtelezhnikov, David L. Wild	CRANKITE: A fast polypeptide backbone conformation sampler.	Source Code Biol. Medicine	2008	DBLP DOI BibTeX RDF
18	Gouchol Pok, Cheng Hao Jin, Keun Ho Ryu	Correlation of Amino Acid Physicochemical Properties with Protein Secondary Structure Conformation.	BMEI (1)	2008	DBLP DOI BibTeX RDF	Amino acid physicochemical properties, Protein secondary structure
18	Xiaoqing Liu, Zhilong Xiu, Xiaohui Li	Numerical characterization of the conformation of cyclic peptides and its application.	J. Comput. Chem.	2007	DBLP DOI BibTeX RDF
18	Yan-Zhen He, Yuan-Xiang Li, Xiao-Lei Zhu, Zhen Xi, Congwei Niu, Jian Wan 0004, Li Zhang, Guangfu Yang	Rational Design Based on Bioactive Conformation Analysis of Pyrimidinylbenzoates as Acetohydroxyacid Synthase Inhibitors by Integrating Molecular Docking, CoMFA, CoMSIA, and DFT Calculations.	J. Chem. Inf. Model.	2007	DBLP DOI BibTeX RDF
18	Amarda Shehu, Cecilia Clementi, Lydia E. Kavraki	Sampling Conformation Space to Model Equilibrium Fluctuations in Proteins.	Algorithmica	2007	DBLP DOI BibTeX RDF
18	T. Bohme Leite, D. Gomes, Maria A. Miteva, Jacques Chomilier, Bruno O. Villoutreix, Pierre Tufféry	Frog: a FRee Online druG 3D conformation generator.	Nucleic Acids Res.	2007	DBLP DOI BibTeX RDF
18	Andrey N. Terekhov, V. V. Sokolov	Implementation of the conformation of MSC and SDL diagrams in the REAL technology.	Program. Comput. Softw.	2007	DBLP DOI BibTeX RDF
18	Ket Fah Chong, Hon Wai Leong	A Merge-Decoupling Dead End Elimination algorithm for protein side-chain conformation.	Int. J. Data Min. Bioinform.	2007	DBLP DOI BibTeX RDF
18	Christoph Appel, Thomas Jungbluth, Eberhard Hartung	LEIA - low-end image analysis to continously monitorgrowth and body conformation of fattening pigs.	GIL Jahrestagung	2007	DBLP BibTeX RDF
18	Dongping Qian, Wendi Wang, Xiaojing Huo, Juan Tang	Study on Linear Appraisal of Dairy Cow's Conformation Based on Image Processing.	CCTA	2007	DBLP DOI BibTeX RDF	linear appraisal, Dairy cow, image processing, median filtering
18	Bryan Eisenhower, Igor Mezic	A mechanism for energy transfer leading to conformation change in networked nonlinear systems.	CDC	2007	DBLP DOI BibTeX RDF
18	H. J. Kadim, Christopher M. Wood	Prediction of Protein Conformation with Potential Applications to Medical Diagnosis and Defence.	BLISS	2007	DBLP DOI BibTeX RDF
18	Ankur Dhanik, Peggy Yao, Nathan Marz, Ryan Propper, Charles Kou, Guanfeng Liu 0001, Henry van den Bedem, Jean-Claude Latombe	Efficient Algorithms to Explore Conformation Spaces of Flexible Protein Loops.	WABI	2007	DBLP DOI BibTeX RDF
18	Zhong-Zhi Yang, Qiang Zhang	Study of peptide conformation in terms of the ABEEM/MM method.	J. Comput. Chem.	2006	DBLP DOI BibTeX RDF
18	Yuedong Yang, Haiyan Liu	Genetic algorithms for protein conformation sampling and optimization in a discrete backbone dihedral angle space.	J. Comput. Chem.	2006	DBLP DOI BibTeX RDF
18	Peng Bao, Zhong-Heng Yu	Theoretical studies on the role of -electron delocalization in determining the conformation of N-benzylideneaniline with three types of LMO basis sets.	J. Comput. Chem.	2006	DBLP DOI BibTeX RDF
18	Wei Xie, Nikolaos V. Sahinidis	Residue-rotamer-reduction algorithm for the protein side-chain conformation problem.	Bioinform.	2006	DBLP DOI BibTeX RDF
18	Xin Liu, Wei-Mou Zheng	An Amino Acid Substitution Matrix for Protein Conformation Identification.	J. Bioinform. Comput. Biol.	2006	DBLP DOI BibTeX RDF
18	Alfonso Benítez-Páez	Sequence Analysis of the Receptor Activity-Modifying Proteins Family, New Putative Peptides and Structural Conformation Inferenc.	Silico Biol.	2006	DBLP BibTeX RDF
18	Marcos J. Araúzo-Bravo, Satoshi Fujii, Hidetoshi Kono, Akinori Sarai	Disentangling the Role of Tetranucleotide in the Sequence-Dependence of DNA Conformation: A Molecular Dynamics Approach.	APBC	2006	DBLP BibTeX RDF
18	Nengchao Wang, Zhongjun Wang	Study on Properties of Protein Folding Conformation Network.	BIOCOMP	2006	DBLP BibTeX RDF
18	Muhtar Qong	Coherence optimization using the polarization state conformation in PolInSAR.	IEEE Geosci. Remote. Sens. Lett.	2005	DBLP DOI BibTeX RDF
18	Laurence Leherte, Nathalie Meurice, Daniel P. Vercauteren	Influence of conformation on the representation of small flexible molecules at low resolution: alignment of endothiapepsin ligands.	J. Comput. Aided Mol. Des.	2005	DBLP DOI BibTeX RDF
18	Doreen Pahlke, Dietmar Leitner, Urs Wiedemann, Dirk Labudde	COPS - Cis/trans peptide bond conformation prediction of amino acids on the basis of secondary structure information.	Bioinform.	2005	DBLP DOI BibTeX RDF
18	Minglei Wang, Hui Yao, Wenbo Xu 0001	Prediction by support vector machines and analysis by Z-score of poly-l-proline type II conformation based on local sequence.	Comput. Biol. Chem.	2005	DBLP DOI BibTeX RDF
18	Rohit Singh 0001, Bonnie Berger	ChainTweak: Sampling from the Neighbourhood of a Protein Conformation.	Pacific Symposium on Biocomputing	2005	DBLP BibTeX RDF
18	Muhtar Qong	Polarization state conformation and its application to change detection in polarimetric SAR data.	IEEE Geosci. Remote. Sens. Lett.	2004	DBLP DOI BibTeX RDF
18	Courtney Stanton, J. MacGregor Smith	Steiner Trees and 3-D Macromolecular Conformation.	INFORMS J. Comput.	2004	DBLP DOI BibTeX RDF
18	Nohad Gresh, Gen-Bin Shi	Conformation-dependent intermolecular interaction energies of the triphosphate anion with divalent metal cations. Application to the ATP-binding site of a binuclear bacterial enzyme. A parallel quantum chemical and polarizable molecular mechanics investigation.	J. Comput. Chem.	2004	DBLP DOI BibTeX RDF
18	Sukjoon Yoon, William J. Welsh	Identification of a Minimal Subset of Receptor Conformations for Improved Multiple Conformation Docking and Two-Step Scoring.	J. Chem. Inf. Model.	2004	DBLP DOI BibTeX RDF
18	Zhigang Zhou, Jeffry D. Madura	CoMFA 3D-QSAR Analysis of HIV-1 RT Nonnucleoside Inhibitors, TIBO Derivatives Based on Docking Conformation and Alignment.	J. Chem. Inf. Model.	2004	DBLP DOI BibTeX RDF
18	R. Gautier, Anne-Claude Camproux, Pierre Tufféry	SCit: web tools for protein side chain conformation analysis.	Nucleic Acids Res.	2004	DBLP DOI BibTeX RDF
18	Fan Xue, Zhong Gu, Jin-An Feng	LINKER: a web server to generate peptide sequences with extended conformation.	Nucleic Acids Res.	2004	DBLP DOI BibTeX RDF
18	José Alberto Rabadán Borges, Miguel A. Bacallado, Francisco Alberto Delgado Rajó, Santiago T. Pérez, Rafael Pérez Jiménez	Experimental characterization of a direct-sequence spread-spectrum optical wireless system based on pulse-conformation techniques for in-house communications.	IEEE Trans. Consumer Electron.	2004	DBLP DOI BibTeX RDF
18	Hideaki Nakamura	Prediction of peptide conformation using a scale-transformed entropy sampling algorithm.	Comput. Biol. Chem.	2004	DBLP DOI BibTeX RDF
18	Geraint Thomas, Richard B. Sessions, Martin J. Parker	Effective Sampling of Protein Conformation Space: Identification of Independent Folding Units.	METMBS	2004	DBLP BibTeX RDF
18	Itizar Frades, Richard J. Edwards, Denis C. Shields	Investigating the 3D Conformation of N-Terminally Constrained Oligopeptides.	Spanish Bioinformatics Conference	2004	DBLP BibTeX RDF
18	Muhtar Qong	A new polarization state conformation and its application to coherence optimization in PolInSAR.	IGARSS	2004	DBLP DOI BibTeX RDF
18	Mark Bathe, Gregory C. Rutledge	Inverse Monte Carlo procedure for conformation determination of macromolecules.	J. Comput. Chem.	2003	DBLP DOI BibTeX RDF
18	András Perczel, Ödön Farkas, Imre Jákli, Igor A. Topol, Imre G. Csizmadia	Peptide models. XXXIII. Extrapolation of low-level Hartree-Fock data of peptide conformation to large basis set SCF, MP2, DFT, and CCSD(T) results. The Ramachandran surface of alanine dipeptide computed at various levels of theory.	J. Comput. Chem.	2003	DBLP DOI BibTeX RDF
18	Tomas Edvinsson, Gustavo A. Arteca, Christer Elvingson	Path-Space Ratio as a Molecular Shape Descriptor of Polymer Conformation.	J. Chem. Inf. Comput. Sci.	2003	DBLP DOI BibTeX RDF
18	S. S. Sheik, P. Ananthalakshmi, G. Ramya Bhargavi, Krishna Sekar	CADB: Conformation Angles DataBase of proteins.	Nucleic Acids Res.	2003	DBLP DOI BibTeX RDF
18	K. Senthilkumar 0001, P. Kolandaivel	Structure, conformation and NMR studies on 1, 2-dioxane and halogen substituted 1, 2-dioxane molecules.	Comput. Biol. Chem.	2003	DBLP DOI BibTeX RDF
18	Sandra H. Heater, Ewa D. Zukowska, Lech Znamirowski	Simulation of Conformation Switching of the Polypeptide Chains.	Modelling, Simulation, and Optimization	2003	DBLP BibTeX RDF
18	Pu Qian, Tadashi Mizoguchi, Ritsuko Fujii, Kazukimi Hara	Conformation Analysis of Carotenoids in the Purple Bacterium Rhodobium marinum Based on NMR Spectroscopy and AM1 Calculation.	J. Chem. Inf. Comput. Sci.	2002	DBLP DOI BibTeX RDF
18	Richard M. Jackson, Robert B. Russell	Predicting Function From Structure: Examples of the Serine Protease Inhibitor Canonical Loop Conformation Found in Extracellular Proteins.	Comput. Chem.	2002	DBLP DOI BibTeX RDF
18	Narsingh Deo, Paulius Micikevicius	Coarse-Grained Parallelization of Distance-Bound Smoothing for the Molecular Conformation Problem.	IWDC	2002	DBLP DOI BibTeX RDF
18	L. A. Poveda, V. R. Ferro, J. M. García de la Vega, Raúl H. González-Jonte	A theoretical approach to the influence of the macrocycle conformation on the molecular electronic structure in Mg-porphyrins.	J. Comput. Aided Mol. Des.	2001	DBLP DOI BibTeX RDF
18	Keigo Gohda, Daisaku Ohta, Genji Iwasaki, Peter Ertl, Olivier Jacob	Computational Modeling of a Binding Conformation of the Intermediate L-Histidinal to Histidinol Dehydrogenase.	J. Chem. Inf. Comput. Sci.	2001	DBLP DOI BibTeX RDF
18	Yevgenia Khodor, Julia Khodor, Thomas F. Knight Jr.	Experimental Conformation of the Basic Principles of Length-only Discrimination.	DNA	2001	DBLP DOI BibTeX RDF
18	Dirk Evers, Robert Giegerich	Reducing the Conformation Space in RNA Structure Prediction.	German Conference on Bioinformatics	2001	DBLP BibTeX RDF
18	Cheuk-San Wang	Determining molecular conformation from distance or density data.		2000	RDF
18	A. Y. Jin, F. Y. Leung, D. F. Weaver	Three variations of genetic algorithm for searching biomolecular conformation space: Comparison of GAP 1.0, 2.0, and 3.0.	J. Comput. Chem.	1999	DBLP DOI BibTeX RDF
18	Oleg Shats, Iosif I. Vaisman, A. Shats, Simon Sherman	SECOST: sequence-conformation-structure database for amino acid residues in proteins.	Bioinform.	1999	DBLP DOI BibTeX RDF
18	Volker Schnecke, Leslie A. Kuhn	Database Screening for HIV Protease Ligands: The Influence of Binding-Site Conformation and Representation on Ligand Selectivity.	ISMB	1999	DBLP BibTeX RDF
18	Nuria B. Centeno, Juan Jesús Pérez	A proposed bioactive conformation of Peptide T.	J. Comput. Aided Mol. Des.	1998	DBLP DOI BibTeX RDF
18	David A. Demeter, Herschel J. R. Weintraub, James J. Knittel	The Local Minima Method (LMM) of Pharmacophore Determination: A Protocol for Predicting the Bioactive Conformation of Small, Conformationally Flexible Molecules.	J. Chem. Inf. Comput. Sci.	1998	DBLP DOI BibTeX RDF
18	Yong Yuan, William A. Sandham, Tariq S. Durrani, Charles Deehan	Fast optimal beam determination for conformation radiotherapy treatment planning.	EUSIPCO	1998	DBLP BibTeX RDF
18	Zhiqiang Wang, Ruth Pachter	Prediction of peptide conformation: The adaptive simulated annealing approach.	J. Comput. Chem.	1997	DBLP DOI BibTeX RDF
18	Jonathan M. Goodman	What Is the Longest Unbranched Alkane with a Linear Global Minimum Conformation?.	J. Chem. Inf. Comput. Sci.	1997	DBLP DOI BibTeX RDF
18	Panos M. Pardalos, Xin Liu, G. L. Xue	Protein Conformation of a Lattice Model Using Tabu Search.	J. Glob. Optim.	1997	DBLP DOI BibTeX RDF
18	Zhijun Wu	The Effective Energy Transformation Scheme as a Special Continuation Approach to Global Optimization with Application to Molecular Conformation.	SIAM J. Optim.	1996	DBLP DOI BibTeX RDF
18	Hidetoschi Kono, Junta Doi	A new method for side-chain conformation prediction using a Hopfield network and reproduced rotamers.	J. Comput. Chem.	1996	DBLP DOI BibTeX RDF
18	Philippe Hennig, Eric Raimbaud, Christophe Thurieau, Jean-Paul Volland, André Michel, Jean-Luc Fauchère	Solution conformation by NMR and molecular modeling of three sulfide-free somatostatin octapeptide analogs compared to angiopeptin.	J. Comput. Aided Mol. Des.	1996	DBLP DOI BibTeX RDF
18	Thomas F. Coleman, Zhijun Wu	Parallel continuation-based global optimization for molecular conformation and protein folding.	J. Glob. Optim.	1996	DBLP DOI BibTeX RDF
18	V. Sundararajan, Ashok S. Kolaskar	Parallel genetic algorithms on PARAM for conformation of biopolymers.	HiPC	1996	DBLP DOI BibTeX RDF
18	Susanne Beiersdörfer, Jürgen Hesser, Jens B. Schmitt, Andreas Schulz, Reinhard Männer, Jürgen Wolfrum	Search for Native Conformation of Organic Molecules by Genetic Algorithms.	German Conference on Bioinformatics	1996	DBLP BibTeX RDF
18	P. Duane Walker, Paul G. Mezey, Gerald M. Maggiora, Mark A. Johnson, James D. Petke	Application of the Shape Group Method to Conformation Processes: Shape and Conjugation Changes in the Conformers of 2-Phenyl Pyrimidine.	J. Comput. Chem.	1995	DBLP DOI BibTeX RDF
18	Arnold L. Patton, William F. Punch III, Erik D. Goodman	A Standard GA Approach to Native Protein Conformation Prediction.	ICGA	1995	DBLP BibTeX RDF
18	Richard H. Byrd, Elizabeth Eskow, André van der Hoek, Robert B. Schnabel, Klaas P. B. Oldenkamp	A Parallel Global Optimization Method for Solving Molecular Cluster and Polymer Conformation Problems.	PPSC	1995	DBLP BibTeX RDF
18	Ruben Abagyan, Maxim Totrov, Dmitry Kuznetsov	ICM - A New Method for Protein Modeling and Design: Applications to Docking and Strucutre Prediction from the Distorted Native Conformation.	J. Comput. Chem.	1994	DBLP DOI BibTeX RDF
18	Rudolf Janoschek, Walter M. F. Fabian, Gert Kollenz, C. Oliver Kappe	Conformation and Reactivity of a-Oxo-Ketenes: Ab Initio and Semiempirical /AM1, PM3) Calculations.	J. Comput. Chem.	1994	DBLP DOI BibTeX RDF
18	Jean M. J. Tronchet, István Komáromi	Conformation Energy around the N(sp3) - O Single Bond.	J. Comput. Chem.	1994	DBLP DOI BibTeX RDF
18	Juan C. Meza, Mónica L. Martinez	Direct Search for the Molecular Conformation Problem.	J. Comput. Chem.	1994	DBLP DOI BibTeX RDF
18	Guoliang Xue	Molecular conformation on the CM-5 by parallel two-level simulated annealing.	J. Glob. Optim.	1994	DBLP DOI BibTeX RDF
18	Andrew T. Phillips, J. Ben Rosen	A quadratic assignment formulation of the molecular conformation problem.	J. Glob. Optim.	1994	DBLP DOI BibTeX RDF
18	Guoliang Xue	Improvement on the northby algorithm for molecular conformation: Better solutions.	J. Glob. Optim.	1994	DBLP DOI BibTeX RDF
18	Anthony J. Duben	The effect of the choice of motional model in the determination of molecular conformation in solution from NMR-NOESY spectra: a simulation study.	SAC	1994	DBLP DOI BibTeX RDF	hybrid matrices, simulation, motional models, NMR
18	Hiroshi Iijima, Yusuke Naito 0003	Incremental Prediction of Side-Chain Conformation of Proteins by a Genetic Algorithm.	International Conference on Evolutionary Computation	1994	DBLP DOI BibTeX RDF
18	Costas D. Maranas, Christodoulos A. Floudas	Global optimization for molecular conformation problems.	Ann. Oper. Res.	1993	DBLP DOI BibTeX RDF
18	Ulrich H. E. Hansmann, Yuko Okamoto	Prediction of peptide conformation by multicanonical algorithm: New approach to the multiple-minima problem.	J. Comput. Chem.	1993	DBLP DOI BibTeX RDF
18	D. B. McGarrah, Richard S. Judson	Analysis of the genetic algorithm method of molecular conformation determination.	J. Comput. Chem.	1993	DBLP DOI BibTeX RDF
18	Elke Lang, Jürgen Brickmann	Storage techniques and analysis tools founding a knowledge-based system for conformation prediction.	J. Chem. Inf. Comput. Sci.	1993	DBLP DOI BibTeX RDF
18	Kentaro Onizuka, Stephen T. C. Wong, Masato Ishikawa, Kiyoshi Asai	A Multi-Level Description Scheme of Protein Conformation.	ISMB	1993	DBLP BibTeX RDF
18	Brian D. Hudson, Ashley R. George, Martyn G. Ford, David J. Livingstone	Structure-activity relationships of pyrethroid insecticides. Part 2. The use of molecular dynamics for conformation searching and average parameter calculation.	J. Comput. Aided Mol. Des.	1992	DBLP DOI BibTeX RDF
18	Wolfgang Brandt, T. Lehmann, T. Hofmann, R. L. Schowen, Alfred Barth	The probable conformation of substrates recognized by dipeptidyl-peptidase IV and some aspects of the Catalytic mechanism derived from theoretical investigations.	J. Comput. Aided Mol. Des.	1992	DBLP DOI BibTeX RDF
18	Véronique Segault, Annie Mougin, Anne Grégoire, Josette Banroques, Christiane Branlant	An experimental study of Saccharomyces cerevisiae U3 snRNA conformation in solution.	Nucleic Acids Res.	1992	DBLP DOI BibTeX RDF
18	David Shalloway	Application of the renormalization group to deterministic global minimization of molecular conformation energy functions.	J. Glob. Optim.	1992	DBLP DOI BibTeX RDF
18	Lee C. Potter, Da-Ming Chiang	Distance matrices and modified cyclic projections for molecular conformation.	ICASSP	1992	DBLP DOI BibTeX RDF
18	Alfred S. Kostense, Steven P. van Helden, Lambert H. M. Janssen	Modeling and conformation analysis of β-cyclodextrin complexes.	J. Comput. Aided Mol. Des.	1991	DBLP DOI BibTeX RDF
18	Marc J. Drooge, Gabriëlle M. Donné-Op den Kelder, Hendrik Timmerman	The histamine H1-receptor antagonist binding site. Part I: Active conformation of cyproheptadine.	J. Comput. Aided Mol. Des.	1991	DBLP DOI BibTeX RDF
18	Ah-lim Tsai, Eva Strobel-Jager, Kenneth K. Wu	Conformation of receptor-associated PGI2: An investigation by molecular modeling.	J. Comput. Aided Mol. Des.	1991	DBLP DOI BibTeX RDF
18	Heinrich Kovar, G. Jug, H. Auer, Tim Skern, D. Blaas	Two dimensional single-strand conformation polymorphism analysis: a useful tool for the detection of mutations in long DNA fragments.	Nucleic Acids Res.	1991	DBLP DOI BibTeX RDF
18	Y. L. Dubreuil, A. Expert-Bezancon, A. Favre	Conformation and structural fluctuations of a 218 nucleotides long rRNA fragment: 4-thiouridine as an intrinsic photolabelling probe.	Nucleic Acids Res.	1991	DBLP DOI BibTeX RDF
18	Maciej Geller, A. Lazkowski, Stanley M. Swanson, Edgar F. Meyer Jr.	Dynamical Analysis of the Conformation of the Active Site of Porcine Pancreatic Elastase in Native and Michaelis Complex States. Molecular Dynamics Simulations.	Comput. Chem.	1991	DBLP DOI BibTeX RDF