Cyclen substitution with urea-containing dendrimeric branches. Theoretical study considering the concept of collectivity Patricia GuadarramaSergei FomineRoberto Salcedo Original Paper 29 August 2003 Pages: 273 - 282
Molecular modeling of the rabbit colonic (HKα2a) H+, K+ ATPase Michelle L. GumzDavid DudaBrian D. Cain Original Paper 22 July 2003 Pages: 283 - 289
Molecular dynamics exposes α-helices in myelin basic protein Ian R. BatesGeorge Harauz Original Paper 24 July 2003 Pages: 290 - 297
A multimeric model for murine anti-apoptotic protein Bcl-2 and structural insights for its regulation by post-translational modification. Venkatarajan S. MathuraKizhake V. SomanWerner Braun Original Paper 30 August 2003 Pages: 298 - 303
New catalyst design for polymerization of norbornene esters by reducing intramolecular interaction Kyoung Hoon KimYoung-Kyu HanJong Hoa Ok Original Paper 22 July 2003 Pages: 304 - 307
Dynamic molecules: molecular dynamics for everyone. An internet-based access to molecular dynamic simulations: basic concepts Martin FrankPeter GutbrodClaus-W. von der Lieth Original Paper 08 August 2003 Pages: 308 - 315
Analysis of the effect of electrostatic energy truncation in molecular dynamics simulations of immunoglobulin G light chain dimer Marcin Król Original Paper 24 July 2003 Pages: 316 - 324
Computation of multicenter overlap integrals with Slater-type orbitals using Ψα-ETOs Israfil GuseinovRamazan AydınBahtiyar Mamedov Original Paper 04 September 2003 Pages: 325 - 328
Structural and functional characterization of the human CCR5 receptor in complex with HIV gp120 envelope glycoprotein and CD4 receptor by molecular modeling studies Shuqun LiuShixiu FanZhirong Sun Original Paper 29 August 2003 Pages: 329 - 336
Determination of amino acid pairs in human p53 protein sensitive to mutations/variants by means of a random approach Guang WuShaomin Yan Original Paper 30 August 2003 Pages: 337 - 341
Local molecular properties and their use in predicting reactivity Bernd EhresmannBodo MartinTimothy Clark Original Paper 02 September 2003 Pages: 342 - 347
Computer modeling and nanosecond simulation of the enzyme–substrate complex of the common lymphoblastic leukemia antigen (neprilysin) indicates shared residues at the primary specificity pocket (S1') with matrix metalloproteases Sergio Manzetti Original Paper 29 August 2003 Pages: 348 - 354