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Volume 11; Issue 1
Main
Journal of Molecular Modeling
Volume 11; Issue 1
Journal of Molecular Modeling
Volume 11; Issue 1
1
Comparative analysis of surface electrostatic potentials of carbon, boron/nitrogen and carbon/boron/nitrogen model nanotubes
Peter Politzer
,
Pat Lane
,
Jane S. Murray
,
Monica C. Concha
Journal:
Journal of Molecular Modeling
Year:
2005
Language:
english
File:
PDF, 523 KB
Your tags:
english, 2005
2
Reasoning of spike glycoproteins being more vulnerable to mutations among 158 coronavirus proteins from different species
Guang Wu
,
Shaomin Yan
Journal:
Journal of Molecular Modeling
Year:
2005
Language:
english
File:
PDF, 498 KB
Your tags:
english, 2005
3
Tetracycline and its analogues as inhibitors of amyloid fibrils: searching for a geometrical pharmacophore by theoretical investigation of their conformational behavior in aqueous solution
Ugo Cosentino
,
M. Rosaria Varí
,
A. A. Gloria Saracino
,
Demetrio Pitea
,
Giorgio Moro
,
Mario Salmona
Journal:
Journal of Molecular Modeling
Year:
2005
Language:
english
File:
PDF, 383 KB
Your tags:
english, 2005
4
An extended aqueous solvation model based on atom-weighted solvent accessible surface areas: SAWSA v2.0 model
Tingjun Hou
,
Wei Zhang
,
Qin Huang
,
Xiaojie Xu
Journal:
Journal of Molecular Modeling
Year:
2005
Language:
english
File:
PDF, 457 KB
Your tags:
english, 2005
5
Direct ab initio dynamics studies of the hydrogen abstraction reactions of hydrogen atom withn-propyl radical and isopropyl radical
Qian Shu Li
,
Yue Zhang
,
Shaowen Zhang
Journal:
Journal of Molecular Modeling
Year:
2005
Language:
english
File:
PDF, 391 KB
Your tags:
english, 2005
6
Modeling of the phase equilibria of polystyrene in methylcyclohexane with semi-empirical quantum mechanical methods I
Hanna Wilczura-Wachnik
,
Svava Ósk Jónsdóttir
Journal:
Journal of Molecular Modeling
Year:
2005
Language:
english
File:
PDF, 167 KB
Your tags:
english, 2005
7
CoMFA, HQSAR and molecular docking studies of butitaxel analogues with β-tubulin
Suzanne L. Cunningham
,
Albert R. Cunningham
,
Billy W. Day
Journal:
Journal of Molecular Modeling
Year:
2005
Language:
english
File:
PDF, 341 KB
Your tags:
english, 2005
8
Prediction of lower critical solution temperature ofN-isopropylacrylamide–acrylic acid copolymer by an artificial neural network model
Hakan Kayı
,
S. Ali Tuncel
,
Ali Elkamel
,
Erdoğan Alper
Journal:
Journal of Molecular Modeling
Year:
2005
Language:
english
File:
PDF, 418 KB
Your tags:
english, 2005
9
AIPAR: ab initio parametrization of intermolecular potentials for computer simulations
Marcelo Z Hernandes
,
Ricardo L Longo
Journal:
Journal of Molecular Modeling
Year:
2005
Language:
english
File:
PDF, 432 KB
Your tags:
english, 2005
10
Molecular dynamics simulations of the human CAR ligand-binding domain: deciphering the molecular basis for constitutive activity
Björn Windshügel
,
Johanna Jyrkkärinne
,
Antti Poso
,
Paavo Honkakoski
,
Wolfgang Sippl
Journal:
Journal of Molecular Modeling
Year:
2005
Language:
english
File:
PDF, 1020 KB
Your tags:
english, 2005
11
Analysis of the interactions of ribonuclease inhibitor with kanamycin
Zhanli Wang
,
Liangren Zhang
,
Jingfen Lu
,
Lihe Zhang
Journal:
Journal of Molecular Modeling
Year:
2005
Language:
english
File:
PDF, 549 KB
Your tags:
english, 2005
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