| Ident. | Authors (with country if any) | Title |
|---|
| 000454 (2019) |
Masayoshi Nakano [Japon] ; Kenji Okada ; Takanori Nagami ; Takayoshi Tonami ; Ryohei Kishi ; Yasutaka Kitagawa [Japon] | Monte Carlo Wavefunction Approach to Singlet Fission Dynamics of Molecular Aggregates |
| 000870 (2018) |
Alexei V. Tkachenko [États-Unis] ; Sergei Maslov [États-Unis] | Onset of natural selection in populations of autocatalytic heteropolymers. |
| 001564 (2015) |
Xiaojuan Yu [République populaire de Chine] ; Senyan Zhang [République populaire de Chine] ; Liwei Jiang [République populaire de Chine] ; Ye Cui [République populaire de Chine] ; Dongxia Li ; Dongli Wang [République populaire de Chine] ; Nianshuang Wang [République populaire de Chine] ; Lili Fu [République populaire de Chine] ; Xuanlin Shi [République populaire de Chine] ; Ziqiang Li ; Linqi Zhang [République populaire de Chine] ; Xinquan Wang [République populaire de Chine] | Structural basis for the neutralization of MERS-CoV by a human monoclonal antibody MERS-27 |
| 001B43 (2014) |
Xiaolei Wang ; Hiroyuki Kuwahara ; Xin Gao | Modeling DNA affinity landscape through two-round support vector regression with weighted degree kernels |
| 002241 (2012) |
P. Longone [Argentine] ; M. Dávila ; A J Ramirez-Pastor | Isotropic-nematic phase diagram for interacting rigid rods on two-dimensional lattices. |
| 002253 (2012) |
P M Pasinetti [Argentine] ; F. Romá ; A J Ramirez-Pastor | First-order phase transitions in repulsive rigid k-mers on two-dimensional lattices. |
| 002428 (2011) |
Matthew D. Dyer [États-Unis] ; T M Murali ; Bruno W. Sobral | Supervised learning and prediction of physical interactions between human and HIV proteins. |
| 002429 (2011) |
Teemu Haikarainen [Finlande] ; Angelos Thanassoulas ; Philemon Stavros ; George Nounesis ; Sauli Haataja ; Anastassios C. Papageorgiou | Structural and thermodynamic characterization of metal ion binding in Streptococcus suis Dpr. |
| 002642 (2010) |
Géza Odor [Hongrie] ; Bartosz Liedke ; Karl-Heinz Heinig | Directed d -mer diffusion describing the Kardar-Parisi-Zhang-type surface growth. |
| 002652 (2010) |
Garima Khandelwal [Inde] ; Jayaram Bhyravabhotla [Inde] | A Phenomenological Model for Predicting Melting Temperatures of DNA Sequences |
| 002774 (2009) |
Vincent A. Voelz [États-Unis] ; M. Scott Shell [États-Unis] ; Ken A. Dill [États-Unis] | Predicting Peptide Structures in Native Proteins from Physical Simulations of Fragments |
| 002819 (2009) |
Hwankyu Lee [États-Unis] ; Alex H. De Vries ; Siewert-Jan Marrink ; Richard W. Pastor | A coarse-grained model for polyethylene oxide and polyethylene glycol: conformation and hydrodynamics. |
| 002966 (2008) |
Hwankyu Lee [États-Unis] ; Richard M. Venable ; Alexander D. Mackerell ; Richard W. Pastor | Molecular dynamics studies of polyethylene oxide and polyethylene glycol: hydrodynamic radius and shape anisotropy. |
| 002988 (2008) |
Suzanne S. Sindi [États-Unis] ; Brian R. Hunt ; James A. Yorke | Duplication count distributions in DNA sequences. |
| 002998 (2008) |
Y. Chen [États-Unis] ; T E Wetzel ; G L Aranovich ; M D Donohue | Configurational probabilities for monomers, dimers and trimers in fluids. |
| 002A05 (2008) |
Alessandro Soncini [Belgique] ; Patrick W. Fowler ; Christine Lepetit ; Remi Chauvin | Aromaticity of ring carbo-mers of [N]annulenes and [N]cycloalkanes. |
| 002B29 (2007) |
Ravi Hegde [Israël] ; Gadi Borkow ; Alexander Berchanski ; Aviva Lapidot | Structure-function relationship of novel X4 HIV-1 entry inhibitors - L- and D-arginine peptide-aminoglycoside conjugates. |
| 002B30 (2007) |
Lars Redecke [Allemagne] ; Martin Von Bergen ; Joachim Clos ; Peter V. Konarev ; Dimitri I. Svergun ; Ursula E A. Fittschen ; José A C. Broekaert ; Oliver Bruns ; Dessislava Georgieva ; Eckhard Mandelkow ; Nicolay Genov ; Christian Betzel | Structural characterization of beta-sheeted oligomers formed on the pathway of oxidative prion protein aggregation in vitro. |
| 002B45 (2007) |
Pawel Weronski [États-Unis] ; Yi Jiang ; Steen Rasmussen | Molecular dynamics study of small PNA molecules in lipid-water system. |
| 002B53 (2007) |
Massimiliano Bonomi [Suisse] ; Francesco L. Gervasio ; Guido Tiana ; Davide Provasi ; Ricardo A. Broglia ; Michele Parrinello | Insight into the folding inhibition of the HIV-1 protease by a small peptide. |
| 002C86 (2006) |
Rambod Daneshfar [Canada] ; John S. Klassen | Thermal decomposition of multiply charged T-rich oligonucleotide anions in the gas phase. Influence of internal solvation on the arrhenius parameters for neutral base loss. |
| 002C89 (2006) |
Nicholas A. Licata [États-Unis] ; Alexei V. Tkachenko | Statistical mechanics of DNA-mediated colloidal aggregation. |
| 002C94 (2006) |
Catherine Paradis-Bleau [Canada] ; Mélanie Beaumont ; Lydia Boudreault ; Adrian Lloyd ; François Sanschagrin ; Timothy D H. Bugg ; Roger C. Levesque | Selection of peptide inhibitors against the Pseudomonas aeruginosa MurD cell wall enzyme. |
| 002D00 (2006) |
Sëma Kachalo [États-Unis] ; Hsiao-Mei Lu ; Jie Liang | Protein folding dynamics via quantification of kinematic energy landscape. |
| 002D22 (2006) |
Nadja Jastrebova [Suède] ; Maarten Vanwildemeersch ; Alan C. Rapraeger ; Guillermo Giménez-Gallego ; Ulf Lindahl ; Dorothe Spillmann | Heparan sulfate-related oligosaccharides in ternary complex formation with fibroblast growth factors 1 and 2 and their receptors. |
| 002D23 (2006) |
Marco Gobbi [Italie] ; Laura Colombo ; Michela Morbin ; Giulia Mazzoleni ; Elena Accardo ; Marco Vanoni ; Elena Del Favero ; Laura Cantù ; Daniel A. Kirschner ; Claudia Manzoni ; Marten Beeg ; Paolo Ceci ; Paolo Ubezio ; Gianluigi Forloni ; Fabrizio Tagliavini ; Mario Salmona | Gerstmann-Sträussler-Scheinker disease amyloid protein polymerizes according to the "dock-and-lock" model. |
| 002D41 (2006) |
Takashi Kuzuhara [Japon] ; Yoshihisa Sei ; Kentaro Yamaguchi ; Masami Suganuma ; Hirota Fujiki | DNA and RNA as new binding targets of green tea catechins. |
| 002D44 (2006) |
Nikolay Korolev [Singapour] ; Alexander P. Lyubartsev ; Lars Nordenskiöld | Computer modeling demonstrates that electrostatic attraction of nucleosomal DNA is mediated by histone tails. |
| 002E68 (2005) |
Troy Cellmer [États-Unis] ; Dusan Bratko ; John M. Prausnitz ; Harvey Blanch | Thermodynamics of folding and association of lattice-model proteins. |
| 002E75 (2005) |
S. Chodankar [Inde] ; V K Aswal | Structure and interaction in protein solutions as studied by small-angle neutron scattering. |
| 002E86 (2005) |
Klaus-Peter Stengele [Allemagne] ; Jochen Bühler ; Sigrid Bühler ; Evgueni Kvassiouk ; Roland Green ; Tamara Prykota ; Wolfgang Pfleiderer | Recent highlights on photolithic oligonucleotide array in situ synthesis. |
| 002F08 (2005) |
Sidney P. Elmer [États-Unis] ; Sanghyun Park ; Vijay S. Pande | Foldamer dynamics expressed via Markov state models. I. Explicit solvent molecular-dynamics simulations in acetonitrile, chloroform, methanol, and water. |
| 002F19 (2005) |
J. Bayer [Allemagne] ; J O R Dler ; R. Blossey | Chains, dimers, and sandwiches: melting behavior of DNA nanoassemblies. |
| 002F81 (2005) |
Zheng Rong Yang | Mining SARS-CoV protease cleavage data using non-orthogonal decision trees: a novel method for decisive template selection |
| 003211 (2003) |
Haimei Chen [Royaume-Uni] ; John A. Parkinson ; Olga Nováková ; Juraj Bella ; Fuyi Wang ; Alice Dawson ; Robert Gould ; Simon Parsons ; Viktor Brabec ; Peter J. Sadler | Induced-fit recognition of DNA by organometallic complexes with dynamic stereogenic centers. |
| 003225 (2003) |
Andrew I. Jewett [États-Unis] ; Vijay S. Pande ; Kevin W. Plaxco | Cooperativity, smooth energy landscapes and the origins of topology-dependent protein folding rates. |
| 003313 (2002) |
Daniel Coman [États-Unis] ; Irina M. Russu | Site-resolved energetics in DNA triple helices containing G*TA and T*CG triads. |
| 003336 (2002) |
Pan T X. Li [États-Unis] ; David J. Scott ; Paul Gollnick | Creating hetero-11-mers composed of wild-type and mutant subunits to study RNA binding to TRAP. |
| 003434 (2001) |
M A Tito [Royaume-Uni] ; J. Miller ; K F Griffin ; E D Williamson ; R W Titball ; C V Robinson | Macromolecular organization of the Yersinia pestis capsular F1 antigen: insights from time-of-flight mass spectrometry. |
| 003435 (2001) |
K R Rodgers [États-Unis] ; L. Tang ; G S Lukat-Rodgers ; N L Wengenack | Insights into the signal transduction mechanism of RmFixL provided by carbon monoxide recombination kinetics. |
| 003801 (1999) |
Y. Tao [États-Unis] ; P S Wells ; X. Yi ; K S Yun ; J F Parcher | Lattice-fluid model for gas-liquid chromatography. |
| 003839 (1999) |
Michael F. Shubsda [États-Unis] ; Mark P. Mcpike [États-Unis] ; Jerry Goodisman [États-Unis] ; James C. Dabrowiak [États-Unis] | Monomer−Dimer Equilibrium Constants of RNA in the Dimer Initiation Site of Human Immunodeficiency Virus Type 1† |
| 003983 (1998) |
J E Page [États-Unis] ; B. Zajc ; T. Oh-Hara ; M K Lakshman ; J M Sayer ; D M Jerina ; A. Dipple | Sequence context profoundly influences the mutagenic potency of trans-opened benzo[a]pyrene 7,8-diol 9,10-epoxide-purine nucleoside adducts in site-specific mutation studies. |
| 003A22 (1998) |
M S Chung [États-Unis] ; A F Neuwald ; W J Wilbur | A free energy analysis by unfolding applied to 125-mers on a cubic lattice. |
| 003C07 (1997) |
T. Takahashi [Japon] | Significant role of electrostatic interactions for stabilization of protein assemblies. |
| 003C18 (1997) |
J K West [États-Unis] ; R. Latour ; L L Hench | Molecular modeling study of adsorption of poly-L-lysine onto silica glass. |
| 003C86 (1997) |
Makoto Koizumi [Japon] ; Rika Koga [Japon] ; Hitoshi Hotoda [Japon] ; Kenji Momota [Japon] ; Toshinori Ohmine [Japon] ; Hidehiko Furukawa [Japon] ; Toshinori Agatsuma [Japon] ; Takashi Nishigaki [Japon] ; Koji Abe [Japon] ; Toshiyuki Kosaka [Japon] ; Shinya Tsutsumi [Japon] ; Junko Sone [Japon] ; Masakatsu Kaneko [Japon] ; Satoshi Kimura [Japon] ; Kaoru Shimada [Japon] | Biologically active oligodeoxyribonucleotides—IX.1 Synthesis and anti-HIV-1 activity of hexadeoxyribonucleotides, TGGGAG, bearing 3′- and 5′-end-modification |
| 004030 (1995) |
W C Duane [États-Unis] ; D P Gilboe | Measurement of bile salt aggregation equilibria using kinetic dialysis and spreadsheet modeling. |
| 004042 (1995) |
V I Abkevich [États-Unis] ; A M Gutin ; E I Shakhnovich | Impact of local and non-local interactions on thermodynamics and kinetics of protein folding. |
| 004518 (1993) |
M A Kennedy [États-Unis] ; S T Nuutero ; J T Davis ; G P Drobny ; B R Reid | Mobility at the TpA cleavage site in the T3A3-containing AhaIII and PmeI restriction sequences. |
| 004879 (1991) |
W. Bains [Royaume-Uni] | Hybridization methods for DNA sequencing. |
