24小时热门版块排行榜    

管理团队 (金币库 69431.9 充值 )

主管区长:
月只蓝小红豆
主管版主:
abinitio沙漠猎人

杰出贡献者

回帖排序 发表排序 刷新页面  |  交流  |  求助  |  资源精华区 作者 最后发表
[热点] O(∩_∩)O uurif6jml7 2026-06-12 刚刚
[Gromacs ] [已完结]求助NAMD相关问题 (2/593) 化学化工系 2013-02-26 2013-03-03 14:14:35 by 化学化工系
[专家会诊] 用什么方法预测核苷类化合物与天然碱基形成氢键能力额强弱呢? (0/346) 惟精惟一 2013-03-03 2013-03-03 13:34:18 by 惟精惟一
[其他] [已完结]win7(32位)Materials Studio5.5安装步骤有一步真心过不去了 (6/1937) nsqhmily 2013-02-28 2013-03-03 07:14:10 by lucaca
[MS] [已完结]materials studio 基组选择问题 (2/1280) jini1989 2012-12-19 2013-03-02 12:41:16 by jini1989
[其他] [已完结]HOMO能量对药物分子的设计有哪些方面的指导? (0/231) 邓芳 2013-03-02 2013-03-02 11:28:47 by 邓芳
[MS] [已完结]求测甲基蓝分子的尺寸大小 (2/1506) nano刘霞 2013-03-01 2013-03-01 22:54:32 by chembetsey
[其他] [已完结]求教AutoDock里的inhib_constant是什么常数? (4/3085) 河外生命 2013-02-27 2013-03-01 17:57:45 by longlongdlut
[LAMMPS/ ] [已完结]冲击结果异常    ( 1 2 ) (11/1866) lchunmei001 2013-01-16 2013-03-01 17:26:22 by lchunmei001
[Gromacs ] [已完结]分子与界面夹角 (7/1576) memgr 2012-03-25 2013-03-01 14:47:34 by jiaoyixiong
[DS/Syby ] [已完结][关贴]小分子配体结构多活性影响问题 (2/554) 高興丶 2013-03-01 2013-03-01 14:36:14 by 126406380
[Gromacs ] [已完结]editconf 和pdb2gmx坐标转换错误 (2/1012) zxy964777869 2013-02-28 2013-03-01 13:59:59 by zxy964777869
[LAMMPS/ ] [已完结]q求Lj势函数    ( 1 2 ) (12/1510) yangwenbin99 2012-12-18 2013-03-01 13:13:50 by yangwenbin99
[DS/Syby ] [已完结][关贴]TopomerComfa问题 真心求帮助 (0/450) 高興丶 2013-03-01 2013-03-01 13:05:42 by 高興丶
[MS] [已完结]各种金属的表面构建! (2/618) kaku2010 2013-01-15 2013-03-01 11:18:03 by kaku2010
[LAMMPS/ ] [已完结]石墨烯nano-patterning (1/743) muguawl 2013-02-28 2013-03-01 10:25:07 by ddll_slsl
[Gromacs ] [已完结]现有的NAMD 可以用的parameter file里面有没有环氧基团的参数?    ( 1 2 ) (10/1226) xiaosaizhao 2013-02-28 2013-03-01 09:45:09 by xiaosaizhao
[DS/Syby ] [已完结]DS中无法复制和粘贴 (0/543) 古小青 2013-02-28 2013-02-28 22:21:15 by 古小青
[MS] [已完结]在PXRD谱图指标化时提示目录名无效应该怎么办!!!! (2/262) 孙小夏 2013-02-28 2013-02-28 21:19:01 by 孙小夏
[DS/Syby ] [已完结]求QSAR指导 (0/275) 蓝洛水seven 2013-02-28 2013-02-28 17:10:08 by 蓝洛水seven
[其他] [已完结]请问哪位能帮忙计算下甲基汞的分子直径 (0/375) jiasirui 2013-02-28 2013-02-28 15:51:42 by jiasirui
[DS/Syby ] DS做药效团的结果中的config值是什么意思?为什么我的一直降不到17? (0/459) xxwn 2013-02-28 2013-02-28 15:47:27 by xxwn
[Gromacs ] [已完结]无限体系构建,化学键怎么处理 (6/693) saabx 2013-02-25 2013-02-28 15:22:08 by saabx
[DS/Syby ] [已完结]求中药单体分子与靶点蛋白的docking处理 (5/1577) doctor88 2013-01-30 2013-02-28 13:44:42 by 装水的水杯
[MS] [已完结]lammps 求解 (0/1245) mingmbm 2013-02-28 2013-02-28 11:25:06 by mingmbm
[MS] [已完结]MS UFF立场 (2/471) hplc303 2013-02-25 2013-02-28 10:06:38 by hplc303
[MS] [已完结]跪求Oxidation reactions of H2O and N2O with Si clusters文献 (0/207) Lzp425496024 2013-02-27 2013-02-27 18:56:43 by Lzp425496024
[DS/Syby ] [关贴]DS2.5.5 Hiphop遇到的产生多构象的问题 (0/272) yinwzi 2013-02-27 2013-02-27 15:34:18 by yinwzi
[DS/Syby ] 【求助】如何利用DS获得已知配基ligand的SD files文件? (8/2109) xppcomeon 2009-12-07 2013-02-27 12:54:06 by yinwzi
[Gromacs ] [已完结]蛋白质与不规则基底间的contact area (0/328) little_lion 2013-02-27 2013-02-27 10:31:49 by little_lion
[DS/Syby ] 【求助】基于药效团的分子叠合 (17/3292) sijifengsd 2010-12-17 2013-02-27 09:48:36 by 高興丶
[Gromacs ] [已完结]gmx安装fftw时出现could not find mpi library for --enable-mpi (5/5547) little_lion 2012-08-27 2013-02-27 06:47:37 by yaozhq
[专家会诊] [已完结]请问,蛋白质分子在不同温度下的构象能否模拟出来? (8/1494) kzyl 2012-06-12 2013-02-26 22:18:36 by zh1987hs
[Gromacs ] 【求助】求一个gromacs的中文教程,包括安装的部分,小弟新手,从零学起 (8/3842) wdali 2010-10-25 2013-02-26 19:41:51 by joy11
[其他] [已完结]chembiodraw的spectrum-structure assignment功能用不了,怎么办? (0/460) csuflyingfish 2013-02-26 2013-02-26 14:38:03 by csuflyingfish
[DS/Syby ] [已完结]分子对接什么时候去水,什么时候不去水?    ( 1 2 ) (15/4149) lily_llf 2011-06-13 2013-02-25 14:24:48 by joy11
[MS] [已完结]在MS中怎样画一个圆形的石墨烯片 (3/1254) 雷风雨 2013-02-22 2013-02-25 10:31:01 by xieluxielu
[专家会诊] [已完结]系综平均 (5/654) fcg200808 2013-02-22 2013-02-23 23:55:06 by fhh2626
[MS] [已完结]MS中dmol3模块计算完后,outmol文件中有没有每个原子的受力情况 (2/588) xx4751 2013-02-23 2013-02-23 21:10:22 by xx4751
[LAMMPS/ ] [已完结]求 TiAl合金的MEAM势文件 (1/632) tfl03 2013-02-23 2013-02-23 20:42:51 by tfl03
[其他] [已完结]有没有根据pdb结构计算酶的活性空腔体积的软件 (2/506) qbin1304 2013-02-20 2013-02-23 19:46:02 by zh1987hs
[MS] 大家学习MS都看过哪些文献啊~求推荐 (1/422) 448112596 2012-11-08 2013-02-23 15:24:45 by 17火耳17
[MS] [已完结]用MS中dmol3模块计算,outmol文件中DERIVATIVES代表什么意思 (0/439) xx4751 2013-02-23 2013-02-23 15:06:27 by xx4751
[DS/Syby ] [已完结]在DS中建立化合物库遇到问题 (1/551) pengroc03 2013-02-22 2013-02-23 09:27:27 by pengroc03
[MS] [已完结]无机物的rietveld的精修问题 (0/313) 17火耳17 2013-02-23 2013-02-23 08:12:06 by 17火耳17
[DS/Syby ] [已完结]求帮忙转为供分子对接的mol2格式 (2/830) tanguangguo 2013-02-22 2013-02-22 22:44:37 by tanguangguo
[DS/Syby ] [已完结][关贴]关于ligandfit的一个问题 (0/448) pengroc03 2013-02-21 2013-02-21 16:34:55 by pengroc03
[资源] [已完结]HSA的PDB ID号 (2/1223) zhangjuling 2013-02-20 2013-02-21 12:12:41 by lilin_sensor
[CPMD/CP ] [已完结]cp2k用多少核并行效果好? (6/2580) jfx9902 2013-02-18 2013-02-19 21:01:03 by ddll_slsl
[LAMMPS/ ] [已完结]关于lampps中Fe的F -S 势 (2/1020) 上官七七 2013-02-01 2013-02-19 07:37:59 by 上官七七
[MS] [已完结]Pd结构几何优化问题 (3/556) 17火耳17 2013-02-16 2013-02-18 22:37:05 by hakuna
[DS/Syby ] [已完结]做CoMSIA的时候一计算疏水键(hydrophobic bond)软件就重启 (1/436) YILUK 2013-01-21 2013-02-18 16:12:03 by joy11
[其他] [已完结]化学反应速率常数 (模拟EPI+1)(3/2251) 2009010884 2011-07-04 2013-02-17 16:04:55 by wangeinstein
[LAMMPS/ ] [已完结]VMD怎么看 (6/1413) 水影恋镜 2012-05-23 2013-02-17 11:18:14 by 我爱罗_沙
[LAMMPS/ ] [已完结]请教如何判断体系里的空位? (5/1198) hongyesies 2012-02-16 2013-02-17 11:15:21 by 我爱罗_沙
[MS] [已完结]请问用deepview怎样表示蛋白表面的电势? (0/339) changjiao 2013-02-16 2013-02-16 10:46:51 by changjiao
[LAMMPS/ ] [已完结]用VMD导入lammpstrj,可是不可用,显示有错 (8/2548) 自由黑黑 2013-02-06 2013-02-15 18:02:32 by 帅帅@
[LAMMPS/ ] [已完结][关贴]关于模拟离子液体力场的选择(opls-aa) (9/4927) wup123 2013-01-27 2013-02-15 10:53:51 by wup123
[LAMMPS/ ] [已完结][关贴]关于斜晶胞建模及导出用于lammps计算问题 (1/2337) 忽忽apple 2013-01-28 2013-02-15 09:04:54 by ddll_slsl
[Gromacs ] [已完结][关贴]How to open AMBER and MARDIGRAS in RedHat (3/494) peier 2013-02-09 2013-02-14 11:38:20 by welles.fong
[MS] [已完结]一些常用分子的生成热大家都是从哪里获得的? (3/592) invincibly 2011-04-25 2013-02-13 19:01:46 by yanhualu15
[其他] 春节快乐 (0/396) meixinqing 2013-02-13 2013-02-13 14:00:34 by meixinqing
[DS/Syby ] [已完结]怎样通过DS重叠目的蛋白和模板蛋白,求解!!! (2/465) sootiey 2013-02-05 2013-02-08 16:20:28 by snow1580
[MS] [已完结]谁能帮我分子对接一个化合物啊,不胜感激 (7/1257) luchenshu 2013-02-04 2013-02-08 10:40:43 by 客舟听雨
[MS] [已完结]MS晶体建模 (2/573) waneli 2013-02-07 2013-02-08 01:48:08 by waneli
[MS] [已完结]自扩散系数 和 扩散距离(或自由程)之间的关系 (0/4289) cmwangdft 2013-02-07 2013-02-07 21:55:48 by cmwangdft
[其他] [已完结]高斯中计算电荷时,Mg的电荷一直是0.5左右 (0/426) liaoliao0510 2013-02-07 2013-02-07 19:26:27 by liaoliao0510
[专家会诊] [已完结]想模拟原子在电场下的运动 能垒 什么软件比较合适 (0/257) xiaoboy185 2013-02-07 2013-02-07 11:00:05 by xiaoboy185
[其他] [已完结]DPPC模拟问题 (0/284) suny2005 2013-02-06 2013-02-06 17:22:43 by suny2005
[MS] [已完结]请问MS动力学的步骤··· (4/1072) seven23 2013-02-05 2013-02-06 13:12:40 by ddll_slsl
[专家会诊] [已完结]多糖的动力学模拟 (1/703) miaoqiao 2013-02-02 2013-02-05 18:10:35 by sqfn
[DS/Syby ] [已完结]DS做CDOCKER问题请教 (5/2335) yu15742837 2012-03-24 2013-02-04 10:42:06 by gg05
[Gromacs ] [已完结]关于Implicit ligand sampling的问题!求助! (0/273) rainson1988 2013-02-01 2013-02-01 20:14:14 by rainson1988
[MS] 分子动力学里的RMSD值在什么范围内说明对接结果是稳定的? (2/4764) lirenshi 2013-02-01 2013-02-01 11:54:33 by 月雨风扬
[MS] 同一个蛋白质不同的人和期刊报道的PDB编号都不一样,用哪个好呢? (4/1794) a-jiao 2013-01-31 2013-02-01 08:49:22 by a-jiao
[DS/Syby ] [已完结][关贴]autogird之后不能生产—rigid.HD.map文件 求教 (0/377) dapaodiao 2013-02-01 2013-02-01 00:16:30 by dapaodiao
[MS] [已完结]采用全部顺式构象并垂直于x和y轴组成的平面,在MS中怎么实现的? (2/352) zhaopinhui08 2013-01-31 2013-01-31 22:35:08 by zhaopinhui08
[CPMD/CP ] [已完结]速度自相关函数的计算 (0/1703) z6242948 2013-01-31 2013-01-31 16:35:17 by z6242948
[专家会诊] 请问大神们,分子离子的电荷局域化的物理本质是什么? (0/938) zhangpengju 2013-01-31 2013-01-31 12:07:38 by zhangpengju
[DS/Syby ] Sybyl中,可不可以将分子随意放到蛋白质某个氨基酸残基附近? (6/1443) lixin240 2013-01-23 2013-01-31 09:41:05 by qustwq
[DS/Syby ] Make the molecular spreadsheet from all steroids in the database???问题急求 (2/474) a-jiao 2012-07-05 2013-01-31 09:00:31 by a-jiao
[专家会诊] [已完结]material studio 进行轨道计算时为什么不能显示HOMO,LUMO图? (1/3147) 609013615 2013-01-24 2013-01-30 21:51:15 by OLED哥
[MS] GCMC模拟气体吸附时各种吸附量该怎么求? (5/4056) clwl 2013-01-28 2013-01-30 20:49:44 by 原来是梦8804
[Monte C ] [已完结]mc模拟蛋白和聚合物膜间的吸附初始构象 (1/436) little_lion 2012-12-27 2013-01-30 15:50:39 by 明月照清渠
[MS] [已完结]Pymol分析对接后的pdb文件 (6/4215) 962162633 2013-01-28 2013-01-30 15:36:45 by qdbh0806
[ME/Gulp] 计算声子谱 求Ge Sb Te的势函数 (2/762) pengyu_long 2011-04-05 2013-01-30 12:45:59 by 2235803
[ME/Gulp] [已完结]势函数截断距离如何取?    ( 1 2 ) (11/2977) 舞昂琦VoVo 2012-05-29 2013-01-30 12:33:32 by 2235803
[LAMMPS/ ] [已完结][关贴]atomeye后处理问题 (0/383) differe 2013-01-30 2013-01-30 11:44:32 by differe
[MS] [已完结]请问做原子模拟或者分子模拟时势函数的选取 (6/1622) xuzhousnwj 2013-01-28 2013-01-30 10:42:28 by chaizhm
[MS] polymer和polymer之间相互作用的计算用什么软件? (2/664) grexx213 2013-01-29 2013-01-29 23:01:05 by grexx213
[专家会诊] [已完结]木材细胞结构可以建立分子模型吗? (0/403) yy5393 2013-01-29 2013-01-29 18:10:38 by yy5393
[DS/Syby ] [已完结][关贴]sybyl下如何实现命令行叠合大分子? (2/432) ValYu 2013-01-24 2013-01-29 16:10:19 by jiaoyixiong
[MS] [已完结]纯水, F-, Cl-, Br-, I-, SCN-, ClO4- 溶液的极性大小? (1/1207) mengsk 2013-01-29 2013-01-29 09:52:26 by zhoupeng87
[Gromacs ] [已完结]求用到AMBER force field的开源软件    ( 1 2 ) (10/2204) 暖水袋 2013-01-16 2013-01-29 09:16:50 by 暖水袋
[其他] [已完结]为什么一个原子可以和周围五六个原子有作用? (7/2019) 河外生命 2013-01-27 2013-01-29 02:01:19 by songyunlong
[MS] [已完结]MS4.4 安装出现关于active x不能创建对象,希望大家解我燃眉之急,定当重谢 (1/481) gx730 2013-01-25 2013-01-28 21:55:07 by zhaopinhui08
[LAMMPS/ ] [已完结]求VMD显示动态成键问题。 (0/1634) herarysara 2013-01-28 2013-01-28 17:42:18 by herarysara
[CPMD/CP ] [已完结][关贴]求cp2k中MD计算,怎样加快scf收敛? (2/2136) herarysara 2013-01-11 2013-01-28 15:27:34 by fuyuhaoy
[Gromacs ] [已完结]关于能垒讨论 (0/340) mengsk 2013-01-28 2013-01-28 09:03:28 by mengsk
[其他] 大家用过Stella这个软件吗? (3/913) jaychenyl 2012-08-02 2013-01-28 07:52:32 by songyunlong
[专家会诊] [已完结]BSA与小分子结合参数及热力学计算的问题 (0/827) haofangsdu 2013-01-27 2013-01-27 14:58:27 by haofangsdu
相关版块跳转
查看